N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

C21H34N6 — CID 56899331

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2(N3CCN(C)CC3)CCCCC2)n2nccc2n1
InChIInChI=1S/C21H34N6/c1-3-7-18-16-20(27-19(24-18)8-11-23-27)22-17-21(9-5-4-6-10-21)26-14-12-25(2)13-15-26/h8,11,16,22H,3-7,9-10,12-15,17H2,1-2H3
InChIKeyJYJYSCAYRLZCPY-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.04
Rot. Bonds6

About N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56899331) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56899331
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2(N3CCN(C)CC3)CCCCC2)n2nccc2n1
InChIInChI=1S/C21H34N6/c1-3-7-18-16-20(27-19(24-18)8-11-23-27)22-17-21(9-5-4-6-10-21)26-14-12-25(2)13-15-26/h8,11,16,22H,3-7,9-10,12-15,17H2,1-2H3
InChIKeyJYJYSCAYRLZCPY-UHFFFAOYSA-N
XLogP3.04
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56899331) is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCC2(N3CCN(C)CC3)CCCCC2)n2nccc2n1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JYJYSCAYRLZCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-3-7-18-16-20(27-19(24-18)8-11-23-27)22-17-21(9-5-4-6-10-21)26-14-12-25(2)13-15-26/h8,11,16,22H,3-7,9-10,12-15,17H2,1-2H3.
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 370.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56899331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).