6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine

C17H26N4 — CID 10125445

IUPAC6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1
InChIInChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyXMDRTFUFPOAGDR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.62
Rot. Bonds4

About 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine

6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 10125445) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
PubChem CID10125445
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1
InChIInChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyXMDRTFUFPOAGDR-UHFFFAOYSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Azetidin-1-yl-2-cyclopropyl-5-methylpyrimidin-4-yl)azepane
CID 10171655
6-(3-azabicyclo[3.2.1]oct-3-yl)-N,2-dicyclopropyl-5-methyl-4-pyrimidinamine
CID 10193093
1-[2-Cyclopropyl-5-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]azepane
CID 10214932
N,2-dicyclopropyl-5-methyl-6-(4-methyl-1-piperidinyl)-4-pyrimidinamine
CID 10236397
N,2-dicyclopropyl-6-(4,4-dimethyl-1-piperidinyl)-5-methyl-4-pyrimidinamine
CID 10236511
N,2-dicyclopropyl-5-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 44409462
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409463
N,2-dicyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 44409558
N,2-dicyclopropyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409651
N,2-dicyclopropyl-6-(5,6-dihydropyridin-1(2H)-yl)-5-methylpyrimidin-4-amine
CID 44409653
6-(azepan-1-yl)-N,2-dicyclopropylpyrimidin-4-amine
CID 44409745
6-(azepan-1-yl)-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine
CID 44409746

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine (CID 10125445) is 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine is Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is XMDRTFUFPOAGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine?
6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 10125445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).