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

C43H63N7 — CID 167613413

IUPAC2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/3C9H13N.2C8H12N2/c1-8(2)6-9-4-3-5-10-7-9;2*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)6-8-9-4-3-5-10-8/h3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyLJPMSCYXXBGUQO-UHFFFAOYSA-N
MW678.03 g/mol
LogP10.19
Rot. Bonds10

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

2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine (PubChem CID 167613413) has the molecular formula C43H63N7 and a molecular weight of 678.03 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
PubChem CID167613413
Molecular FormulaC43H63N7
Molecular Weight678.03 g/mol
Exact Mass677.51
IUPAC Name2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/3C9H13N.2C8H12N2/c1-8(2)6-9-4-3-5-10-7-9;2*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)6-8-9-4-3-5-10-8/h3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyLJPMSCYXXBGUQO-UHFFFAOYSA-N
XLogP10.19
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.03
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-methyl-6-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158328245
1-(3-methylbutyl)pyrrole;2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158111642
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
ethane;3-(2-methylpropyl)pyridine;2-[5-(2-methylpropyl)thiophen-2-yl]pyridine
CID 143675924
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
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;2-(2-methylpropyl)pyrimidine
CID 169144494
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
CID 162035254
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
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 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine (CID 167613413) is 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine is CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.
What is the InChIKey of 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine?
The InChIKey is LJPMSCYXXBGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.2C8H12N2/c1-8(2)6-9-4-3-5-10-7-9;2*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)6-8-9-4-3-5-10-8/h3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine?
2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine has a molecular weight of 678.03 g/mol, XLogP of 10.19, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 167613413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).