cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H27N7O — CID 56862116

IUPACcyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCC(C)CC(Nc1ncnc2c1CCN(C(=O)C1CC1)C2)c1ncnn1C
InChIInChI=1S/C19H27N7O/c1-12(2)8-15(18-22-11-23-25(18)3)24-17-14-6-7-26(19(27)13-4-5-13)9-16(14)20-10-21-17/h10-13,15H,4-9H2,1-3H3,(H,20,21,24)
InChIKeyXZZKXTATCRXGND-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.10
Rot. Bonds6

About cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56862116) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56862116
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Namecyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCC(C)CC(Nc1ncnc2c1CCN(C(=O)C1CC1)C2)c1ncnn1C
InChIInChI=1S/C19H27N7O/c1-12(2)8-15(18-22-11-23-25(18)3)24-17-14-6-7-26(19(27)13-4-5-13)9-16(14)20-10-21-17/h10-13,15H,4-9H2,1-3H3,(H,20,21,24)
InChIKeyXZZKXTATCRXGND-UHFFFAOYSA-N
XLogP2.10
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Related Compounds

1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870367
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870885
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
N~4~-cyclopropyl-7-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56905322
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56755030
2-methyl-4-pyrrolidin-1-yl-7-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 118786005
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]cyclobutyl]methyl]-5,7-dihydropteridin-6-one;methane
CID 167639482
1-[(3S)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489782
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]cyclobutyl]methyl]-5,7-dihydropteridin-6-one
CID 161010297

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56862116) is cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CC(C)CC(Nc1ncnc2c1CCN(C(=O)C1CC1)C2)c1ncnn1C.
What is the InChIKey of cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is XZZKXTATCRXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12(2)8-15(18-22-11-23-25(18)3)24-17-14-6-7-26(19(27)13-4-5-13)9-16(14)20-10-21-17/h10-13,15H,4-9H2,1-3H3,(H,20,21,24).
What are the key properties of cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56862116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).