6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

C14H13BrN4S — CID 68912157

IUPAC6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C14H13BrN4S/c1-2-3-9-13-10(19-14(16)18-9)5-4-8(17-13)11-6-7-12(15)20-11/h4-7H,2-3H2,1H3,(H2,16,18,19)
InChIKeyXRADUPRPDMNFQM-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.05
Rot. Bonds3

About 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68912157) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID68912157
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C14H13BrN4S/c1-2-3-9-13-10(19-14(16)18-9)5-4-8(17-13)11-6-7-12(15)20-11/h4-7H,2-3H2,1H3,(H2,16,18,19)
InChIKeyXRADUPRPDMNFQM-UHFFFAOYSA-N
XLogP4.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-bromo-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 87620464
6-(4-fluorophenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 24963520
6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68913093
6-(2,6-dimethoxy-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68912851
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
6-(4-morpholin-4-ylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68913237
6-(2-phenylmethoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68914860
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68910778
5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405503
5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
CID 102456583
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (CID 68912157) is 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is CCCc1nc(N)nc2ccc(-c3ccc(Br)s3)nc12.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is XRADUPRPDMNFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-2-3-9-13-10(19-14(16)18-9)5-4-8(17-13)11-6-7-12(15)20-11/h4-7H,2-3H2,1H3,(H2,16,18,19).
What are the key properties of 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 349.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68912157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).