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

C12H19N3O2 — CID 136776171

IUPAC2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-6-11(16)15-12(14-10)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyNTYUXLSFDRFIBI-VIFPVBQESA-N
MW237.30 g/mol
LogP1.48
Rot. Bonds4

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

2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136776171) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136776171
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-6-11(16)15-12(14-10)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyNTYUXLSFDRFIBI-VIFPVBQESA-N
XLogP1.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136776176
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300
2-(dimethylamino)-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 97416216
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
3-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 121205371
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51717084
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136776171) is 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NTYUXLSFDRFIBI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10-6-11(16)15-12(14-10)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15,16)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136776171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).