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

C10H15N3O2 — CID 136957000

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-8(4-9(15)13-7)11-5-10(6-14)2-3-10/h4,14H,2-3,5-6H2,1H3,(H2,11,12,13,15)
InChIKeyNKJMJERGQLMMLK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds4

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

4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957000) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957000
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-8(4-9(15)13-7)11-5-10(6-14)2-3-10/h4,14H,2-3,5-6H2,1H3,(H2,11,12,13,15)
InChIKeyNKJMJERGQLMMLK-UHFFFAOYSA-N
XLogP0.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136957000) is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC2(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NKJMJERGQLMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-12-8(4-9(15)13-7)11-5-10(6-14)2-3-10/h4,14H,2-3,5-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.26, 4 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).