2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

C16H24N4O — CID 136974395

IUPAC2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(CNc1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C16H24N4O/c1-20-12-4-5-13(20)7-10(6-12)9-17-14-8-15(21)19-16(18-14)11-2-3-11/h8,10-13H,2-7,9H2,1H3,(H2,17,18,19,21)
InChIKeyFHCNRLNGWZQEFD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds4

About 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974395) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974395
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(CNc1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C16H24N4O/c1-20-12-4-5-13(20)7-10(6-12)9-17-14-8-15(21)19-16(18-14)11-2-3-11/h8,10-13H,2-7,9H2,1H3,(H2,17,18,19,21)
InChIKeyFHCNRLNGWZQEFD-UHFFFAOYSA-N
XLogP1.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974395) is 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is CN1C2CCC1CC(CNc1cc(=O)[nH]c(C3CC3)n1)C2.
What is the InChIKey of 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FHCNRLNGWZQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-20-12-4-5-13(20)7-10(6-12)9-17-14-8-15(21)19-16(18-14)11-2-3-11/h8,10-13H,2-7,9H2,1H3,(H2,17,18,19,21).
What are the key properties of 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 288.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).