2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H17BrN4O2S — CID 58448991

IUPAC2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)s3)ccn2)N=C1N
InChIInChI=1S/C17H17BrN4O2S/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21)
InChIKeyHRAOJTMZEVUJMR-UHFFFAOYSA-N
MW421.32 g/mol
LogP2.72
Rot. Bonds4

About 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448991) has the molecular formula C17H17BrN4O2S and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448991
Molecular FormulaC17H17BrN4O2S
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC Name2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)s3)ccn2)N=C1N
InChIInChI=1S/C17H17BrN4O2S/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21)
InChIKeyHRAOJTMZEVUJMR-UHFFFAOYSA-N
XLogP2.72
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Related Compounds

2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448983
2-amino-6-[4-(2-imidazo[2,1-b][1,3]thiazol-6-yl-2-oxoethyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449101
2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448772
2-amino-3,6-dimethyl-6-[3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448766
2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448898
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387896
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449125
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449206
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
CID 70235107
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 70232328

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448991) is 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3ccc(Br)s3)ccn2)N=C1N.
What is the InChIKey of 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is HRAOJTMZEVUJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2S/c1-17(9-15(24)22(2)16(19)21-17)13-8-10(5-6-20-13)7-11(23)12-3-4-14(18)25-12/h3-6,8H,7,9H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 421.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).