(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

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Related Compounds

(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59262406
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
(6S)-2-amino-6-[4-(3-methoxyphenyl)furan-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388414
2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11501327
(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 59388228
2-amino-6-[3-(3-methoxy-5-methylsulfanyloxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 143493653
3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-fluorothiophen-3-yl]benzonitrile
CID 59387424
(6S)-2-amino-3,6-dimethyl-6-[5-(5-prop-1-ynyl-3-pyridinyl)-4-pyridin-3-ylthiophen-2-yl]-5H-pyrimidin-4-one
CID 69087432
3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-hydroxythiophen-3-yl]benzonitrile
CID 145461297
(6S)-2-amino-6-[3-(2,1,3-benzoxadiazol-5-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3,4-dichlorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158204096
(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one
CID 69091188
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387896

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).