N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C23H27N5O — CID 25033181

About N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033181) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 25033181
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• SMILES: CCOc1ccc(C(C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1
• InChI: InChI=1S/C23H27N5O/c1-4-29-19-8-6-18(7-9-19)17(3)27-23-20-14-28(12-11-21(20)25-15-26-23)22-10-5-16(2)13-24-22/h5-10,13,15,17H,4,11-12,14H2,1-3H3,(H,25,26,27)
• InChIKey: RHMCVUQKMIMGDA-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033181) is N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCOc1ccc(C(C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1.

What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is RHMCVUQKMIMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-29-19-8-6-18(7-9-19)17(3)27-23-20-14-28(12-11-21(20)25-15-26-23)22-10-5-16(2)13-24-22/h5-10,13,15,17H,4,11-12,14H2,1-3H3,(H,25,26,27).

What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).