2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

C25H33N9O2 — CID 53378468

IUPAC2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C25H33N9O2/c1-25(2,24(27)35)34-9-7-32(8-10-34)16-18-4-5-19-21(29-18)23(33-11-13-36-14-12-33)31-22(30-19)17-3-6-20(26)28-15-17/h3-6,15H,7-14,16H2,1-2H3,(H2,26,28)(H2,27,35)
InChIKeyWASJRKNPJMYKMG-UHFFFAOYSA-N
MW491.60 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 53378468) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID53378468
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
IUPAC Name2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C25H33N9O2/c1-25(2,24(27)35)34-9-7-32(8-10-34)16-18-4-5-19-21(29-18)23(33-11-13-36-14-12-33)31-22(30-19)17-3-6-20(26)28-15-17/h3-6,15H,7-14,16H2,1-2H3,(H2,26,28)(H2,27,35)
InChIKeyWASJRKNPJMYKMG-UHFFFAOYSA-N
XLogP0.89
TPSA139.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 53378468) is 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(Cc2ccc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is WASJRKNPJMYKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-25(2,24(27)35)34-9-7-32(8-10-34)16-18-4-5-19-21(29-18)23(33-11-13-36-14-12-33)31-22(30-19)17-3-6-20(26)28-15-17/h3-6,15H,7-14,16H2,1-2H3,(H2,26,28)(H2,27,35).
What are the key properties of 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 491.60 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 53378468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).