4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 136957309

IUPAC4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CO)CCC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-8(5-9(15)12-7)13-10(6-14)3-2-4-10/h5,14H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyNSKBNXIZKQCFNZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.41
Rot. Bonds3

About 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one

4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957309) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957309
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CO)CCC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-8(5-9(15)12-7)13-10(6-14)3-2-4-10/h5,14H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyNSKBNXIZKQCFNZ-UHFFFAOYSA-N
XLogP0.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
2-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849673
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849674
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136866843
2-cyclopropyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871934
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136918122
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136918123
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 136938489
2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136938547
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956304
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136956566

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136957309) is 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2(CO)CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NSKBNXIZKQCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-8(5-9(15)12-7)13-10(6-14)3-2-4-10/h5,14H,2-4,6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).