7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C20H27N7 — CID 139027268

IUPAC7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C20H27N7/c1-14-11-19(27-18(23-14)10-15(2)24-27)26-8-6-25(7-9-26)17-12-16(20(3,4)5)21-13-22-17/h10-13H,6-9H2,1-5H3
InChIKeyWTCCXMLYUGZYKN-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.76
Rot. Bonds2

About 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 139027268) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID139027268
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C20H27N7/c1-14-11-19(27-18(23-14)10-15(2)24-27)26-8-6-25(7-9-26)17-12-16(20(3,4)5)21-13-22-17/h10-13H,6-9H2,1-5H3
InChIKeyWTCCXMLYUGZYKN-UHFFFAOYSA-N
XLogP2.76
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 139027268) is 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WTCCXMLYUGZYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-14-11-19(27-18(23-14)10-15(2)24-27)26-8-6-25(7-9-26)17-12-16(20(3,4)5)21-13-22-17/h10-13H,6-9H2,1-5H3.
What are the key properties of 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 365.49 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139027268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).