6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C19H19BrN4OS — CID 20960341

IUPAC6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2
InChIInChI=1S/C19H19BrN4OS/c1-25-17-5-3-2-4-16(17)23-19-21-10-13-11-24(9-8-15(13)22-19)12-14-6-7-18(20)26-14/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyQTGKISJEVRXOSR-UHFFFAOYSA-N
MW431.36 g/mol
LogP4.61
Rot. Bonds5

About 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960341) has the molecular formula C19H19BrN4OS and a molecular weight of 431.36 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960341
Molecular FormulaC19H19BrN4OS
Molecular Weight431.36 g/mol
Exact Mass430.05
IUPAC Name6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2
InChIInChI=1S/C19H19BrN4OS/c1-25-17-5-3-2-4-16(17)23-19-21-10-13-11-24(9-8-15(13)22-19)12-14-6-7-18(20)26-14/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyQTGKISJEVRXOSR-UHFFFAOYSA-N
XLogP4.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960341) is 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is QTGKISJEVRXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4OS/c1-25-17-5-3-2-4-16(17)23-19-21-10-13-11-24(9-8-15(13)22-19)12-14-6-7-18(20)26-14/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,23).
What are the key properties of 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 431.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).