6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine

C17H12BrN5S — CID 10272159

IUPAC6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3nccs3)c(Cc3ccc(Br)cc3)cc12
InChIInChI=1S/C17H12BrN5S/c18-12-3-1-10(2-4-12)7-11-8-13-15(19)21-9-22-16(13)23-14(11)17-20-5-6-24-17/h1-6,8-9H,7H2,(H2,19,21,22,23)
InChIKeySPZWAXXUCPNACP-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.08
Rot. Bonds3

About 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine

6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10272159) has the molecular formula C17H12BrN5S and a molecular weight of 398.29 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10272159
Molecular FormulaC17H12BrN5S
Molecular Weight398.29 g/mol
Exact Mass397.00
IUPAC Name6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3nccs3)c(Cc3ccc(Br)cc3)cc12
InChIInChI=1S/C17H12BrN5S/c18-12-3-1-10(2-4-12)7-11-8-13-15(19)21-9-22-16(13)23-14(11)17-20-5-6-24-17/h1-6,8-9H,7H2,(H2,19,21,22,23)
InChIKeySPZWAXXUCPNACP-UHFFFAOYSA-N
XLogP4.08
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 10272159) is 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3nccs3)c(Cc3ccc(Br)cc3)cc12.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SPZWAXXUCPNACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5S/c18-12-3-1-10(2-4-12)7-11-8-13-15(19)21-9-22-16(13)23-14(11)17-20-5-6-24-17/h1-6,8-9H,7H2,(H2,19,21,22,23).
What are the key properties of 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 398.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-7-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10272159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).