4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136870664

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-9-13-10(7-11(16)14-9)15-12(3)5-6-17-8(12)2/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeySQRTVPFWDUESBN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds3

About 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136870664) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136870664
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-9-13-10(7-11(16)14-9)15-12(3)5-6-17-8(12)2/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeySQRTVPFWDUESBN-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136870664) is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC2(C)CCOC2C)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is SQRTVPFWDUESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-9-13-10(7-11(16)14-9)15-12(3)5-6-17-8(12)2/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).