4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine

C21H30N4 — CID 112926589

IUPAC4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H30N4/c1-15(2)18-11-9-10-16(3)20(18)24-21-22-17(4)14-19(23-21)25-12-7-5-6-8-13-25/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,23,24)
InChIKeyRPVHMXJVTQQQFG-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.34
Rot. Bonds4

About 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine

4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 112926589) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID112926589
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H30N4/c1-15(2)18-11-9-10-16(3)20(18)24-21-22-17(4)14-19(23-21)25-12-7-5-6-8-13-25/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,23,24)
InChIKeyRPVHMXJVTQQQFG-UHFFFAOYSA-N
XLogP5.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112922874
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455
5-(4-methylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112945864
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
1-[6-methyl-2-(2-propan-2-ylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194169
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
4-[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914538
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine (CID 112926589) is 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine is Cc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is RPVHMXJVTQQQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-15(2)18-11-9-10-16(3)20(18)24-21-22-17(4)14-19(23-21)25-12-7-5-6-8-13-25/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,23,24).
What are the key properties of 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 338.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112926589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).