2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

C16H26N4 — CID 80959321

IUPAC2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCN(c2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-3-12-5-4-9-20(10-8-12)15-11-14(17-2)18-16(19-15)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyPABJZWHVBGGGOW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds4

About 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80959321) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80959321
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCC1CCCN(c2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-3-12-5-4-9-20(10-8-12)15-11-14(17-2)18-16(19-15)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyPABJZWHVBGGGOW-UHFFFAOYSA-N
XLogP3.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80958988
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629715
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (CID 80959321) is 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is CCC1CCCN(c2cc(NC)nc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is PABJZWHVBGGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-12-5-4-9-20(10-8-12)15-11-14(17-2)18-16(19-15)13-6-7-13/h11-13H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80959321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).