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

C13H21N3O3 — CID 136976514

IUPAC4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-9(2)12-15-10(7-11(17)16-12)14-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyLGSCWKPNXRTMSW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.85
Rot. Bonds4

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

4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976514) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976514
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-9(2)12-15-10(7-11(17)16-12)14-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyLGSCWKPNXRTMSW-UHFFFAOYSA-N
XLogP0.85
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-ethyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675562
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675566
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675573
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
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136749165
2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817762

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976514) is 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(O)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LGSCWKPNXRTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)12-15-10(7-11(17)16-12)14-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).