5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C29H33N7O — CID 118224984

IUPAC5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnc(NCCOc3ccccc3)c2)nc2cncc(C3CC3)c12)C1CCNCC1
InChIInChI=1S/C29H33N7O/c1-36(22-10-12-30-13-11-22)29-27-24(20-7-8-20)18-31-19-25(27)34-28(35-29)21-9-14-32-26(17-21)33-15-16-37-23-5-3-2-4-6-23/h2-6,9,14,17-20,22,30H,7-8,10-13,15-16H2,1H3,(H,32,33)
InChIKeyDVRVTZQSQBOSTA-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.64
Rot. Bonds9

About 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 118224984) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID118224984
Molecular FormulaC29H33N7O
Molecular Weight495.63 g/mol
Exact Mass495.27
IUPAC Name5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnc(NCCOc3ccccc3)c2)nc2cncc(C3CC3)c12)C1CCNCC1
InChIInChI=1S/C29H33N7O/c1-36(22-10-12-30-13-11-22)29-27-24(20-7-8-20)18-31-19-25(27)34-28(35-29)21-9-14-32-26(17-21)33-15-16-37-23-5-3-2-4-6-23/h2-6,9,14,17-20,22,30H,7-8,10-13,15-16H2,1H3,(H,32,33)
InChIKeyDVRVTZQSQBOSTA-UHFFFAOYSA-N
XLogP4.64
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-methyl-N-piperidin-4-yl-2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123961633
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 90098739
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyethyl]pyridin-2-amine
CID 144599810
2-[2-(4-chloroanilino)-4-pyridinyl]-5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 118224977
5-cyclopropyl-2-[2-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-4-pyridinyl]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 155259327
5-cyclobutyl-N-methyl-N-(3-methylpiperidin-4-yl)-2-[2-[(3,5,6-trifluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123756095
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-methylphenyl)pyridin-2-amine
CID 90099798
5-cyclopropyl-2-[2-[[(1Z,3E)-2,4-difluorohepta-1,3,5,6-tetraenyl]amino]-4-pyridinyl]-N-(3-methoxypiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 176531938
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
CID 90099357
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 118224984) is 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CN(c1nc(-c2ccnc(NCCOc3ccccc3)c2)nc2cncc(C3CC3)c12)C1CCNCC1.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DVRVTZQSQBOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O/c1-36(22-10-12-30-13-11-22)29-27-24(20-7-8-20)18-31-19-25(27)34-28(35-29)21-9-14-32-26(17-21)33-15-16-37-23-5-3-2-4-6-23/h2-6,9,14,17-20,22,30H,7-8,10-13,15-16H2,1H3,(H,32,33).
What are the key properties of 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 495.63 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118224984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).