2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

C17H17N5 — CID 163356963

IUPAC2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCC(c3ccccn3)C2)c2ccncc2n1
InChIInChI=1S/C17H17N5/c1-12-20-16-10-18-8-5-14(16)17(21-12)22-9-6-13(11-22)15-4-2-3-7-19-15/h2-5,7-8,10,13H,6,9,11H2,1H3
InChIKeyRFZXARIGZZFULR-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.72
Rot. Bonds2

About 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (PubChem CID 163356963) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
PubChem CID163356963
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCC(c3ccccn3)C2)c2ccncc2n1
InChIInChI=1S/C17H17N5/c1-12-20-16-10-18-8-5-14(16)17(21-12)22-9-6-13(11-22)15-4-2-3-7-19-15/h2-5,7-8,10,13H,6,9,11H2,1H3
InChIKeyRFZXARIGZZFULR-UHFFFAOYSA-N
XLogP2.72
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,3,4-thiadiazole
CID 154882964
2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163344407
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 126910867
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 163356545
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931938
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (CID 163356963) is 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is Cc1nc(N2CCC(c3ccccn3)C2)c2ccncc2n1.
What is the InChIKey of 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is RFZXARIGZZFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-12-20-16-10-18-8-5-14(16)17(21-12)22-9-6-13(11-22)15-4-2-3-7-19-15/h2-5,7-8,10,13H,6,9,11H2,1H3.
What are the key properties of 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 291.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).