2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one

C13H19N3O3 — CID 136976513

IUPAC2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O3/c17-11-7-10(15-12(16-11)9-1-2-9)14-8-13(18)3-5-19-6-4-13/h7,9,18H,1-6,8H2,(H2,14,15,16,17)
InChIKeyKMVFFHFLMWPCBD-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.60
Rot. Bonds4

About 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976513) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976513
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O3/c17-11-7-10(15-12(16-11)9-1-2-9)14-8-13(18)3-5-19-6-4-13/h7,9,18H,1-6,8H2,(H2,14,15,16,17)
InChIKeyKMVFFHFLMWPCBD-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

2-cyclopropyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675568
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675576
2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675578
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730480
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
2-cyclopropyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817768
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136864248
2-ethyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864250
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864251
2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864255
2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136952730

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136976513) is 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCOCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KMVFFHFLMWPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-7-10(15-12(16-11)9-1-2-9)14-8-13(18)3-5-19-6-4-13/h7,9,18H,1-6,8H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-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-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).