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

C17H19N3O2S — CID 59262406

IUPAC(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-17(9-15(21)20(2)16(18)19-17)14-8-12(10-23-14)11-5-4-6-13(7-11)22-3/h4-8,10H,9H2,1-3H3,(H2,18,19)/t17-/m0/s1
InChIKeyJYFZNNGUYCHVRE-KRWDZBQOSA-N
MW329.43 g/mol
LogP2.82
Rot. Bonds3

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

(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59262406) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59262406
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-17(9-15(21)20(2)16(18)19-17)14-8-12(10-23-14)11-5-4-6-13(7-11)22-3/h4-8,10H,9H2,1-3H3,(H2,18,19)/t17-/m0/s1
InChIKeyJYFZNNGUYCHVRE-KRWDZBQOSA-N
XLogP2.82
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 11631207
(6S)-2-amino-3,6-dimethyl-6-[4-(3-pyrrolidin-1-ylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 59388149
(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387253
(6S)-2-amino-3,6-dimethyl-6-[4-(3-piperidin-1-ylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 70128445
5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;(4S)-2'-amino-6-(3-methoxyphenyl)-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one
CID 158830010
(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-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-6-[4-(1,3-benzodioxol-5-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11580969
(6S)-2-amino-6-[4-(3-chloro-4-propan-2-yloxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388978

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59262406) is (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is COc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.
What is the InChIKey of (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is JYFZNNGUYCHVRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-17(9-15(21)20(2)16(18)19-17)14-8-12(10-23-14)11-5-4-6-13(7-11)22-3/h4-8,10H,9H2,1-3H3,(H2,18,19)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.82, 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-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59262406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).