(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C10H13N3O2 — CID 59386804

IUPAC(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccco2)N=C1N
InChIInChI=1S/C10H13N3O2/c1-10(7-4-3-5-15-7)6-8(14)13(2)9(11)12-10/h3-5H,6H2,1-2H3,(H2,11,12)/t10-/m0/s1
InChIKeyCGXFVUYNXOJHQN-JTQLQIEISA-N
MW207.23 g/mol
LogP0.67
Rot. Bonds1

About (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386804) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386804
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccco2)N=C1N
InChIInChI=1S/C10H13N3O2/c1-10(7-4-3-5-15-7)6-8(14)13(2)9(11)12-10/h3-5H,6H2,1-2H3,(H2,11,12)/t10-/m0/s1
InChIKeyCGXFVUYNXOJHQN-JTQLQIEISA-N
XLogP0.67
TPSA71.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386804) is (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccco2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is CGXFVUYNXOJHQN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(7-4-3-5-15-7)6-8(14)13(2)9(11)12-10/h3-5H,6H2,1-2H3,(H2,11,12)/t10-/m0/s1.
What are the key properties of (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(furan-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).