4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide

C22H27N7O2 — CID 169243301

About 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide

4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide (PubChem CID 169243301) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide
• PubChem CID: 169243301
• Molecular Formula: C22H27N7O2
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.22
• IUPAC Name: 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide
• SMILES: C[C@H](N)CNc1ncnc2c(C(N)=O)cc(-c3ccc(CN4CCOCC4)cc3)nc12
• InChI: InChI=1S/C22H27N7O2/c1-14(23)11-25-22-20-19(26-13-27-22)17(21(24)30)10-18(28-20)16-4-2-15(3-5-16)12-29-6-8-31-9-7-29/h2-5,10,13-14H,6-9,11-12,23H2,1H3,(H2,24,30)(H,25,26,27)/t14-/m0/s1
• InChIKey: QFLKQECTQJOSJN-AWEZNQCLSA-N
• XLogP: 1.38
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide?

The IUPAC name of 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide (CID 169243301) is 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide.

What is the SMILES notation for 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide?

The canonical SMILES for 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide is C[C@H](N)CNc1ncnc2c(C(N)=O)cc(-c3ccc(CN4CCOCC4)cc3)nc12.

What is the InChIKey of 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide?

The InChIKey is QFLKQECTQJOSJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14(23)11-25-22-20-19(26-13-27-22)17(21(24)30)10-18(28-20)16-4-2-15(3-5-16)12-29-6-8-31-9-7-29/h2-5,10,13-14H,6-9,11-12,23H2,1H3,(H2,24,30)(H,25,26,27)/t14-/m0/s1.

What are the key properties of 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide?

4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S)-2-aminopropyl]amino]-6-[4-(morpholin-4-ylmethyl)phenyl]pyrido[3,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 169243301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).