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

C9H13N3O2 — CID 136957002

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-9(1-2-9)4-10-7-3-8(14)12-6-11-7/h3,6,13H,1-2,4-5H2,(H2,10,11,12,14)
InChIKeyJROXBXNZGGXPKK-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.05
Rot. Bonds4

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

4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136957002) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136957002
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-5-9(1-2-9)4-10-7-3-8(14)12-6-11-7/h3,6,13H,1-2,4-5H2,(H2,10,11,12,14)
InChIKeyJROXBXNZGGXPKK-UHFFFAOYSA-N
XLogP-0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol
CID 135489794
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847970
4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852217
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951260
4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956030
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136956672
4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956794
4-(3-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136956811

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136957002) is 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(CO)CC2)nc[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is JROXBXNZGGXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-5-9(1-2-9)4-10-7-3-8(14)12-6-11-7/h3,6,13H,1-2,4-5H2,(H2,10,11,12,14).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.05, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).