4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 137016590

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-14-9(5-10(17)15-11)13-6-12(7-16)3-4-12/h5,8,16H,3-4,6-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyMMYCZJCRESQXDR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137016590) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137016590
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-14-9(5-10(17)15-11)13-6-12(7-16)3-4-12/h5,8,16H,3-4,6-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyMMYCZJCRESQXDR-UHFFFAOYSA-N
XLogP1.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 137016590) is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MMYCZJCRESQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11-14-9(5-10(17)15-11)13-6-12(7-16)3-4-12/h5,8,16H,3-4,6-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137016590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).