2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O — CID 136824087

IUPAC2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)12(4-5-12)7-13-10-6-11(16)15-9(3)14-10/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyOVOCJFCRWMXIFG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136824087) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136824087
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)12(4-5-12)7-13-10-6-11(16)15-9(3)14-10/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyOVOCJFCRWMXIFG-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136824087) is 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2(C(C)C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OVOCJFCRWMXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)12(4-5-12)7-13-10-6-11(16)15-9(3)14-10/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).