2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136900705

IUPAC2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NC[C@H]2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-2-4-9-7-11(16)15-12(14-9)13-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16)/t10-/m1/s1
InChIKeyIUVPCSGQPKDUGV-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds5

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

2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one (PubChem CID 136900705) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
PubChem CID136900705
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NC[C@H]2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-2-4-9-7-11(16)15-12(14-9)13-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16)/t10-/m1/s1
InChIKeyIUVPCSGQPKDUGV-SNVBAGLBSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136776176
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
CID 136740848
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
N-[[(2R)-oxolan-2-yl]methyl]-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 92735189
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954086

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one (CID 136900705) is 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NC[C@H]2CCCO2)n1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is IUVPCSGQPKDUGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-9-7-11(16)15-12(14-9)13-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one?
2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136900705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).