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

C10H15N3O2 — CID 136956017

IUPAC2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(5-10(14)13-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyRTJZPEWZPZHSLA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.67
Rot. Bonds3

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

2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956017) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956017
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCO2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-12-9(5-10(14)13-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyRTJZPEWZPZHSLA-UHFFFAOYSA-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 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136956017) is 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is RTJZPEWZPZHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-12-9(5-10(14)13-7)11-6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(oxolan-2-ylmethylamino)-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 2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).