2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one

C21H17ClN4O2S — CID 24909976

About 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one

2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (PubChem CID 24909976) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

Molecular Properties

• Compound Name: 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• PubChem CID: 24909976
• Molecular Formula: C21H17ClN4O2S
• Molecular Weight: 424.91 g/mol
• Exact Mass: 424.08
• IUPAC Name: 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
• SMILES: Nc1oc2ccc(Cl)cc2c(=O)c1CN1CCc2nc(-c3cccs3)ncc2C1
• InChI: InChI=1S/C21H17ClN4O2S/c22-13-3-4-17-14(8-13)19(27)15(20(23)28-17)11-26-6-5-16-12(10-26)9-24-21(25-16)18-2-1-7-29-18/h1-4,7-9H,5-6,10-11,23H2
• InChIKey: FAZSIGBWGQVDKV-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.91
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The IUPAC name of 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one (CID 24909976) is 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one.

What is the SMILES notation for 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The canonical SMILES for 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is Nc1oc2ccc(Cl)cc2c(=O)c1CN1CCc2nc(-c3cccs3)ncc2C1.

What is the InChIKey of 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

The InChIKey is FAZSIGBWGQVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c22-13-3-4-17-14(8-13)19(27)15(20(23)28-17)11-26-6-5-16-12(10-26)9-24-21(25-16)18-2-1-7-29-18/h1-4,7-9H,5-6,10-11,23H2.

What are the key properties of 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one?

2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one has a molecular weight of 424.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one is sourced from PubChem (CID 24909976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).