2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol

C24H33N8O2+ — CID 78225455

IUPAC2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
SMILESCC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H32N8O2/c1-24(2,33)17-5-7-31(8-6-17)15-18-3-4-19-20(28-18)22(32-9-11-34-12-10-32)30-21(29-19)16-13-26-23(25)27-14-16/h3-4,13-14,17,33H,5-12,15H2,1-2H3,(H2,25,26,27)/p+1
InChIKeySQGDUMWGWUGDIS-UHFFFAOYSA-O
MW465.58 g/mol
LogP0.47
Rot. Bonds5

About 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol

2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol (PubChem CID 78225455) has the molecular formula C24H33N8O2+ and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
PubChem CID78225455
Molecular FormulaC24H33N8O2+
Molecular Weight465.58 g/mol
Exact Mass465.27
IUPAC Name2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
SMILESCC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C24H32N8O2/c1-24(2,33)17-5-7-31(8-6-17)15-18-3-4-19-20(28-18)22(32-9-11-34-12-10-32)30-21(29-19)16-13-26-23(25)27-14-16/h3-4,13-14,17,33H,5-12,15H2,1-2H3,(H2,25,26,27)/p+1
InChIKeySQGDUMWGWUGDIS-UHFFFAOYSA-O
XLogP0.47
TPSA127.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol (CID 78225455) is 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol is CC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The InChIKey is SQGDUMWGWUGDIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N8O2/c1-24(2,33)17-5-7-31(8-6-17)15-18-3-4-19-20(28-18)22(32-9-11-34-12-10-32)30-21(29-19)16-13-26-23(25)27-14-16/h3-4,13-14,17,33H,5-12,15H2,1-2H3,(H2,25,26,27)/p+1.
What are the key properties of 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol has a molecular weight of 465.58 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol is sourced from PubChem (CID 78225455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).