4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline

C49H63ClN6 — CID 159692392

IUPAC4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline
SMILESC.CC(C)c1cc(Cl)ncn1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.Cc1ccc(C(C)C)nn1
InChIInChI=1S/2C12H13N.C9H12.C8H12N2.C7H9ClN2.CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-7(8)10-4-9-6;/h2*3-9H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;1H4
InChIKeyMWORRVVVWPZMRW-UHFFFAOYSA-N
MW771.54 g/mol
LogP14.32
Rot. Bonds5

About 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline

4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline (PubChem CID 159692392) has the molecular formula C49H63ClN6 and a molecular weight of 771.54 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline
PubChem CID159692392
Molecular FormulaC49H63ClN6
Molecular Weight771.54 g/mol
Exact Mass770.48
IUPAC Name4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline
SMILESC.CC(C)c1cc(Cl)ncn1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.Cc1ccc(C(C)C)nn1
InChIInChI=1S/2C12H13N.C9H12.C8H12N2.C7H9ClN2.CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-7(8)10-4-9-6;/h2*3-9H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;1H4
InChIKeyMWORRVVVWPZMRW-UHFFFAOYSA-N
XLogP14.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.54
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
CID 158546913
3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
CID 159240940
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline?
The IUPAC name of 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline (CID 159692392) is 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline is C.CC(C)c1cc(Cl)ncn1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccc1.Cc1ccc(C(C)C)nn1.
What is the InChIKey of 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline?
The InChIKey is MWORRVVVWPZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C9H12.C8H12N2.C7H9ClN2.CH4/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-7(8)10-4-9-6;/h2*3-9H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;1H4.
What are the key properties of 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline?
4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline has a molecular weight of 771.54 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-ylpyrimidine;cumene;methane;3-methyl-6-propan-2-ylpyridazine;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline is sourced from PubChem (CID 159692392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).