(1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

C24H34N8O2 — CID 140876675

About (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

(1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (PubChem CID 140876675) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
• PubChem CID: 140876675
• Molecular Formula: C24H34N8O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.28
• IUPAC Name: (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
• SMILES: CC(C)Nc1nc([C@@H](C)O)cc2cnc(Nc3ccc(CN4CCN(CCO)CC4)cn3)nc12
• InChI: InChI=1S/C24H34N8O2/c1-16(2)27-23-22-19(12-20(28-23)17(3)34)14-26-24(30-22)29-21-5-4-18(13-25-21)15-32-8-6-31(7-9-32)10-11-33/h4-5,12-14,16-17,33-34H,6-11,15H2,1-3H3,(H,27,28)(H,25,26,29,30)/t17-/m1/s1
• InChIKey: GCUAUUYLBJBRFI-QGZVFWFLSA-N
• XLogP: 2.15
• TPSA: 122.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?

The IUPAC name of (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (CID 140876675) is (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.

What is the SMILES notation for (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?

The canonical SMILES for (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is CC(C)Nc1nc([C@@H](C)O)cc2cnc(Nc3ccc(CN4CCN(CCO)CC4)cn3)nc12.

What is the InChIKey of (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?

The InChIKey is GCUAUUYLBJBRFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-16(2)27-23-22-19(12-20(28-23)17(3)34)14-26-24(30-22)29-21-5-4-18(13-25-21)15-32-8-6-31(7-9-32)10-11-33/h4-5,12-14,16-17,33-34H,6-11,15H2,1-3H3,(H,27,28)(H,25,26,29,30)/t17-/m1/s1.

What are the key properties of (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?

(1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol has a molecular weight of 466.59 g/mol, XLogP of 2.15, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 140876675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).