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

C20H26N8 — CID 154882886

IUPAC4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N8/c1-12-13(2)22-17(15-5-6-15)25-18(12)27-7-9-28(10-8-27)20-16-11-21-26(4)19(16)23-14(3)24-20/h11,15H,5-10H2,1-4H3
InChIKeyDECLHVNIMGHFRF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.28
Rot. Bonds3

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

4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 154882886) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID154882886
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H26N8/c1-12-13(2)22-17(15-5-6-15)25-18(12)27-7-9-28(10-8-27)20-16-11-21-26(4)19(16)23-14(3)24-20/h11,15H,5-10H2,1-4H3
InChIKeyDECLHVNIMGHFRF-UHFFFAOYSA-N
XLogP2.28
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 154882886) is 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)c2cnn(C)c2n1.
What is the InChIKey of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DECLHVNIMGHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-12-13(2)22-17(15-5-6-15)25-18(12)27-7-9-28(10-8-27)20-16-11-21-26(4)19(16)23-14(3)24-20/h11,15H,5-10H2,1-4H3.
What are the key properties of 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 378.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 154882886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).