2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136956267

IUPAC2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyVXIYHRPQOQHUFL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.53
Rot. Bonds3

About 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one

2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956267) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956267
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyVXIYHRPQOQHUFL-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136956267) is 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCOC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is VXIYHRPQOQHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-12-9(4-10(14)13-7)11-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).