4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

C20H23N7 — CID 154882881

IUPAC4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4cnccc34)CC2)c1C
InChIInChI=1S/C20H23N7/c1-13-14(2)24-18(15-3-4-15)25-19(13)26-7-9-27(10-8-26)20-16-5-6-21-11-17(16)22-12-23-20/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyUUNBNBIXLWTFEI-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.64
Rot. Bonds3

About 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 154882881) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID154882881
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4cnccc34)CC2)c1C
InChIInChI=1S/C20H23N7/c1-13-14(2)24-18(15-3-4-15)25-19(13)26-7-9-27(10-8-26)20-16-5-6-21-11-17(16)22-12-23-20/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyUUNBNBIXLWTFEI-UHFFFAOYSA-N
XLogP2.64
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001
2-cyclopropyl-4,5-dimethyl-6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882524
5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154882666
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrido[3,4-d]pyrimidine
CID 165433317
5-bromo-N-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-2-amine
CID 171328908
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126862042
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155798905
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 154882881) is 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is Cc1nc(C2CC2)nc(N2CCN(c3ncnc4cnccc34)CC2)c1C.
What is the InChIKey of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is UUNBNBIXLWTFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-13-14(2)24-18(15-3-4-15)25-19(13)26-7-9-27(10-8-26)20-16-5-6-21-11-17(16)22-12-23-20/h5-6,11-12,15H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 154882881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).