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

C13H20N6 — CID 31290694

IUPAC1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-10(2)18-4-6-19(7-5-18)13-11-8-16-17(3)12(11)14-9-15-13/h8-10H,4-7H2,1-3H3
InChIKeyKOJBJLYPNFCZED-UHFFFAOYSA-N
MW260.35 g/mol
LogP0.89
Rot. Bonds2

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

1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 31290694) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID31290694
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-10(2)18-4-6-19(7-5-18)13-11-8-16-17(3)12(11)14-9-15-13/h8-10H,4-7H2,1-3H3
InChIKeyKOJBJLYPNFCZED-UHFFFAOYSA-N
XLogP0.89
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 31290694) is 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is CC(C)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is KOJBJLYPNFCZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)18-4-6-19(7-5-18)13-11-8-16-17(3)12(11)14-9-15-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 260.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 31290694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).