1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C14H22N6 — CID 47292699

IUPAC1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(C(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6/c1-10(2)19-5-7-20(8-6-19)14-12-9-15-18(4)13(12)16-11(3)17-14/h9-10H,5-8H2,1-4H3
InChIKeyULUWNXKOGDTMSC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.20
Rot. Bonds2

About 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 47292699) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID47292699
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(C(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6/c1-10(2)19-5-7-20(8-6-19)14-12-9-15-18(4)13(12)16-11(3)17-14/h9-10H,5-8H2,1-4H3
InChIKeyULUWNXKOGDTMSC-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 47292699) is 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCN(C(C)C)CC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is ULUWNXKOGDTMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10(2)19-5-7-20(8-6-19)14-12-9-15-18(4)13(12)16-11(3)17-14/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 274.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 47292699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).