[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

C26H26N6O2 — CID 168922436

IUPAC[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(CCNc2nc(N3CCOCC3)c3ncc(C(=O)c4cccnc4)cc3n2)c1
InChIInChI=1S/C26H26N6O2/c1-18-4-2-5-19(14-18)7-9-28-26-30-22-15-21(24(33)20-6-3-8-27-16-20)17-29-23(22)25(31-26)32-10-12-34-13-11-32/h2-6,8,14-17H,7,9-13H2,1H3,(H,28,30,31)
InChIKeyUTOJRAAGVWEWOV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.45
Rot. Bonds7

About [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (PubChem CID 168922436) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
PubChem CID168922436
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(CCNc2nc(N3CCOCC3)c3ncc(C(=O)c4cccnc4)cc3n2)c1
InChIInChI=1S/C26H26N6O2/c1-18-4-2-5-19(14-18)7-9-28-26-30-22-15-21(24(33)20-6-3-8-27-16-20)17-29-23(22)25(31-26)32-10-12-34-13-11-32/h2-6,8,14-17H,7,9-13H2,1H3,(H,28,30,31)
InChIKeyUTOJRAAGVWEWOV-UHFFFAOYSA-N
XLogP3.45
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
CID 168922498
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
5-(3-methylphenyl)-2-[4-morpholin-4-yl-7-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]-1H-pyrazol-3-one
CID 168922544
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508294
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (CID 168922436) is [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is Cc1cccc(CCNc2nc(N3CCOCC3)c3ncc(C(=O)c4cccnc4)cc3n2)c1.
What is the InChIKey of [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The InChIKey is UTOJRAAGVWEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-18-4-2-5-19(14-18)7-9-28-26-30-22-15-21(24(33)20-6-3-8-27-16-20)17-29-23(22)25(31-26)32-10-12-34-13-11-32/h2-6,8,14-17H,7,9-13H2,1H3,(H,28,30,31).
What are the key properties of [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone has a molecular weight of 454.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 168922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).