1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide

C12H11BrN4O2S — CID 53257879

IUPAC1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
SMILESBr.O=c1nc(NCc2cccs2)c2cccnc2n1O
InChIInChI=1S/C12H10N4O2S.BrH/c17-12-15-10(14-7-8-3-2-6-19-8)9-4-1-5-13-11(9)16(12)18;/h1-6,18H,7H2,(H,14,15,17);1H
InChIKeyHNAJSVVJVIBGGR-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.28
Rot. Bonds3

About 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide

1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide (PubChem CID 53257879) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide.

Molecular Properties

Compound Name1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
PubChem CID53257879
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
SMILESBr.O=c1nc(NCc2cccs2)c2cccnc2n1O
InChIInChI=1S/C12H10N4O2S.BrH/c17-12-15-10(14-7-8-3-2-6-19-8)9-4-1-5-13-11(9)16(12)18;/h1-6,18H,7H2,(H,14,15,17);1H
InChIKeyHNAJSVVJVIBGGR-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 91664430
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
6-hydrazinyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80943622
6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80772084
1-(thiophen-2-ylmethylamino)isoquinoline-3-carboxylic acid
CID 43173683
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide?
The IUPAC name of 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide (CID 53257879) is 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide.
What is the SMILES notation for 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide?
The canonical SMILES for 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide is Br.O=c1nc(NCc2cccs2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide?
The InChIKey is HNAJSVVJVIBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S.BrH/c17-12-15-10(14-7-8-3-2-6-19-8)9-4-1-5-13-11(9)16(12)18;/h1-6,18H,7H2,(H,14,15,17);1H.
What are the key properties of 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide?
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide has a molecular weight of 355.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide is sourced from PubChem (CID 53257879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).