4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C15H24N4O — CID 136974636

IUPAC4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCCN2CCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H24N4O/c20-14-11-13(17-15(18-14)12-5-6-12)16-7-10-19-8-3-1-2-4-9-19/h11-12H,1-10H2,(H2,16,17,18,20)
InChIKeyNXXPDWBWXYVILZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds5

About 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136974636) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136974636
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCCN2CCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H24N4O/c20-14-11-13(17-15(18-14)12-5-6-12)16-7-10-19-8-3-1-2-4-9-19/h11-12H,1-10H2,(H2,16,17,18,20)
InChIKeyNXXPDWBWXYVILZ-UHFFFAOYSA-N
XLogP1.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976656
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976479
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136974636) is 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(NCCN2CCCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is NXXPDWBWXYVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-14-11-13(17-15(18-14)12-5-6-12)16-7-10-19-8-3-1-2-4-9-19/h11-12H,1-10H2,(H2,16,17,18,20).
What are the key properties of 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).