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

C10H15N3O2 — CID 136689112

IUPAC4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2/c1-7-5-9(14)13-10(12-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14)/t8-/m0/s1
InChIKeyUOXPHSWIKVDGEI-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

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

4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136689112) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
PubChem CID136689112
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2/c1-7-5-9(14)13-10(12-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14)/t8-/m0/s1
InChIKeyUOXPHSWIKVDGEI-QMMMGPOBSA-N
XLogP0.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (CID 136689112) is 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is UOXPHSWIKVDGEI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-9(14)13-10(12-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14)/t8-/m0/s1.
What are the key properties of 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).