1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine

C75H107Cl3FN5 — CID 161137240

IUPAC1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine
SMILESC.C.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.Cc1cc(C(C)C)c(C)cn1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C10H15N.C10H14.C9H10Cl2.C9H11Cl.C9H11F.2C9H13N.C8H12N2.2CH4/c1-7(2)10-5-9(4)11-6-8(10)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-4-9-5-10-7(8)3;;/h5-7H,1-4H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyUMYNAALOKOLSSL-UHFFFAOYSA-N
MW1204.07 g/mol
LogP24.68
Rot. Bonds8

About 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine

1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine (PubChem CID 161137240) has the molecular formula C75H107Cl3FN5 and a molecular weight of 1204.07 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine
PubChem CID161137240
Molecular FormulaC75H107Cl3FN5
Molecular Weight1204.07 g/mol
Exact Mass1201.76
IUPAC Name1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine
SMILESC.C.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.Cc1cc(C(C)C)c(C)cn1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C10H15N.C10H14.C9H10Cl2.C9H11Cl.C9H11F.2C9H13N.C8H12N2.2CH4/c1-7(2)10-5-9(4)11-6-8(10)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-4-9-5-10-7(8)3;;/h5-7H,1-4H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyUMYNAALOKOLSSL-UHFFFAOYSA-N
XLogP24.68
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.07
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(6-chloropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 86766525
4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575
4-(2,4-Dichlorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726576
4-(4-Chlorophenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
CID 44399536
2-(4-Benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-pyridin-4-ylpyrimidine
CID 44399540
4-(2,4-Dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazoline
CID 45484797
4-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 29153463
4-[1-(3,4-Difluorobenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45198522
4-[1-(4-Fluorobenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45217503
2-((1-Methyl-1-phenylethyl)amino)-4-chloro-5-(4-fluorophenyl)-6-(4-pyridyl)pyrimidine
CID 22346599
N-[1-(2-chlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 23000374
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 23000397

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine (CID 161137240) is 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine is C.C.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.Cc1cc(C(C)C)c(C)cn1.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncncc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine?
The InChIKey is UMYNAALOKOLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C10H14.C9H10Cl2.C9H11Cl.C9H11F.2C9H13N.C8H12N2.2CH4/c1-7(2)10-5-9(4)11-6-8(10)3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-4-9-5-10-7(8)3;;/h5-7H,1-4H3;4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine?
1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine has a molecular weight of 1204.07 g/mol, XLogP of 24.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;2,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 161137240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).