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

C19H19BrN4OS — CID 20960373

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

6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960373) 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-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 20960373
• Molecular Formula: C19H19BrN4OS
• Molecular Weight: 431.36 g/mol
• Exact Mass: 430.05
• IUPAC Name: 6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)cc1
• InChI: InChI=1S/C19H19BrN4OS/c1-25-15-4-2-14(3-5-15)22-19-21-10-13-11-24(9-8-17(13)23-19)12-16-6-7-18(20)26-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,23)
• InChIKey: WRNCAHNBUNUWLZ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.36
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960373) is 6-[(5-bromothiophen-2-yl)methyl]-N-(4-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-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl]-N-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)cc1.

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

The InChIKey is WRNCAHNBUNUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4OS/c1-25-15-4-2-14(3-5-15)22-19-21-10-13-11-24(9-8-17(13)23-19)12-16-6-7-18(20)26-16/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-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

6-[(5-bromothiophen-2-yl)methyl]-N-(4-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-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).