(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C18H21N3O2S — CID 59387253

IUPAC(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2C)c1
InChIInChI=1S/C18H21N3O2S/c1-11-8-14(18(2)10-15(22)21(3)17(19)20-18)24-16(11)12-6-5-7-13(9-12)23-4/h5-9H,10H2,1-4H3,(H2,19,20)/t18-/m0/s1
InChIKeySLOBZIGRLNKXSI-SFHVURJKSA-N
MW343.45 g/mol
LogP3.12
Rot. Bonds3

About (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387253) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387253
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2C)c1
InChIInChI=1S/C18H21N3O2S/c1-11-8-14(18(2)10-15(22)21(3)17(19)20-18)24-16(11)12-6-5-7-13(9-12)23-4/h5-9H,10H2,1-4H3,(H2,19,20)/t18-/m0/s1
InChIKeySLOBZIGRLNKXSI-SFHVURJKSA-N
XLogP3.12
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-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-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387253) is (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is COc1cccc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2C)c1.
What is the InChIKey of (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is SLOBZIGRLNKXSI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-8-14(18(2)10-15(22)21(3)17(19)20-18)24-16(11)12-6-5-7-13(9-12)23-4/h5-9H,10H2,1-4H3,(H2,19,20)/t18-/m0/s1.
What are the key properties of (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 343.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).