2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine

C16H26N4 — CID 80959750

IUPAC2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine
SMILESCC(C)C1CCCN(c2cc(N)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-11(2)12-4-3-8-20(9-7-12)15-10-14(17)18-16(19-15)13-5-6-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyATPDYMWIIGMMDS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds3

About 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine

2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine (PubChem CID 80959750) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine
PubChem CID80959750
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine
SMILESCC(C)C1CCCN(c2cc(N)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-11(2)12-4-3-8-20(9-7-12)15-10-14(17)18-16(19-15)13-5-6-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyATPDYMWIIGMMDS-UHFFFAOYSA-N
XLogP3.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959966
6-(4-cyclopentylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-amine
CID 80958405
2-cyclopropyl-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
CID 80960281
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80968033
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
CID 83266554
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylazepane
CID 102715943
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine (CID 80959750) is 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine is CC(C)C1CCCN(c2cc(N)nc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine?
The InChIKey is ATPDYMWIIGMMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)12-4-3-8-20(9-7-12)15-10-14(17)18-16(19-15)13-5-6-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-propan-2-ylazepan-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80959750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).