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

C11H17N3O3 — CID 136730475

IUPAC4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CO)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-8-12-9(6-10(16)13-8)14-11(7-15)2-4-17-5-3-11/h6,15H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyIGCYSCINJKGAMK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.03
Rot. Bonds3

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

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136730475) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136730475
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(CO)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-8-12-9(6-10(16)13-8)14-11(7-15)2-4-17-5-3-11/h6,15H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyIGCYSCINJKGAMK-UHFFFAOYSA-N
XLogP0.03
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730424
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730480
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-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136870665
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136918122
2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136938547
4-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957297
4-[[1-(hydroxymethyl)cyclobutyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136957309
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959424

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136730475) is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2(CO)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IGCYSCINJKGAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-12-9(6-10(16)13-8)14-11(7-15)2-4-17-5-3-11/h6,15H,2-5,7H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).