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

C19H23N3O2S — CID 59388228

IUPAC(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
SMILESCC(C)Oc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)24-15-7-5-6-13(8-15)14-9-16(25-11-14)19(3)10-17(23)22(4)18(20)21-19/h5-9,11-12H,10H2,1-4H3,(H2,20,21)/t19-/m0/s1
InChIKeyLDUPJUKURODTOD-IBGZPJMESA-N
MW357.48 g/mol
LogP3.59
Rot. Bonds4

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

(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one (PubChem CID 59388228) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
PubChem CID59388228
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
SMILESCC(C)Oc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)24-15-7-5-6-13(8-15)14-9-16(25-11-14)19(3)10-17(23)22(4)18(20)21-19/h5-9,11-12H,10H2,1-4H3,(H2,20,21)/t19-/m0/s1
InChIKeyLDUPJUKURODTOD-IBGZPJMESA-N
XLogP3.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-amino-3,6-dimethyl-6-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 59262262
(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 59262309
(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 59262311
(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-enyl-6-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 59262330
2-Amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
CID 59386861
5-[(4S)-2-amino-5-[4-(difluoromethoxy)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile
CID 59386952
(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-one
CID 59386997
3-[5-[(4S,5S)-2-amino-5-(4-methoxyphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-fluorobenzonitrile
CID 59387000
3-[5-[(4S,5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 59387074
5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile
CID 59387236
2-Amino-3-methyl-5-phenyl-5-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
CID 59387239
(6S)-2-amino-3,6-dimethyl-6-[4-methyl-5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 59387754

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one (CID 59388228) is (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one is CC(C)Oc1cccc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one?
The InChIKey is LDUPJUKURODTOD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)24-15-7-5-6-13(8-15)14-9-16(25-11-14)19(3)10-17(23)22(4)18(20)21-19/h5-9,11-12H,10H2,1-4H3,(H2,20,21)/t19-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one has a molecular weight of 357.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 59388228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).