2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136957045

IUPAC2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-8(3-4-15-6)13-9-5-10(14)12-7(2)11-9/h5-6,8H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyOPZRNKDXJIQOQP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds2

About 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957045) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957045
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-8(3-4-15-6)13-9-5-10(14)12-7(2)11-9/h5-6,8H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyOPZRNKDXJIQOQP-UHFFFAOYSA-N
XLogP0.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136957045) is 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCOC2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is OPZRNKDXJIQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-8(3-4-15-6)13-9-5-10(14)12-7(2)11-9/h5-6,8H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).