bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine

C71H103N9 — CID 159695001

IUPACbis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/2C10H14.3C9H13N.3C8H12N2/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h2*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyMWWWEBRMTRCRCP-UHFFFAOYSA-N
MW1082.67 g/mol
LogP17.64
Rot. Bonds16

About bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine

bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine (PubChem CID 159695001) has the molecular formula C71H103N9 and a molecular weight of 1082.67 g/mol. Its IUPAC name is bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Namebis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
PubChem CID159695001
Molecular FormulaC71H103N9
Molecular Weight1082.67 g/mol
Exact Mass1081.83
IUPAC Namebis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/2C10H14.3C9H13N.3C8H12N2/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h2*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyMWWWEBRMTRCRCP-UHFFFAOYSA-N
XLogP17.64
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.67
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
CID 167613413
3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine
CID 162085820
1-(3-methylbutyl)pyrrole;2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158111642
ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine
CID 159508883
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
2-methyl-6-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158328245
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
CID 162035254
methane;3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
CID 157460138
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
CID 159885585
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
CID 158586506
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
CID 172607147

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine?
The IUPAC name of bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine (CID 159695001) is bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine.
What is the SMILES notation for bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine?
The canonical SMILES for bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine is CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.
What is the InChIKey of bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine?
The InChIKey is MWWWEBRMTRCRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.3C9H13N.3C8H12N2/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h2*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine?
bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine has a molecular weight of 1082.67 g/mol, XLogP of 17.64, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 159695001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).