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

C13H19N3O3 — CID 136730480

IUPAC2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O3/c17-8-13(3-5-19-6-4-13)16-10-7-11(18)15-12(14-10)9-1-2-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18)
InChIKeyKBBWUCCQBYLPCJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.60
Rot. Bonds4

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

2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136730480) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136730480
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O3/c17-8-13(3-5-19-6-4-13)16-10-7-11(18)15-12(14-10)9-1-2-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18)
InChIKeyKBBWUCCQBYLPCJ-UHFFFAOYSA-N
XLogP0.60
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.60
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]-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
2-cyclopropyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871934
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959425
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136975416
2-ethyl-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975418
2-cyclopropyl-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975422
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136975428
2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976513
2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136977364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (CID 136730480) is 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCOCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is KBBWUCCQBYLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-8-13(3-5-19-6-4-13)16-10-7-11(18)15-12(14-10)9-1-2-9/h7,9,17H,1-6,8H2,(H2,14,15,16,18).
What are the key properties of 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).