5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C17H28N6 — CID 71453355

IUPAC5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)CCNc1cc(NC2CCC(N)CC2)nc2ccnn12
InChIInChI=1S/C17H28N6/c1-12(2)7-9-19-17-11-15(22-16-8-10-20-23(16)17)21-14-5-3-13(18)4-6-14/h8,10-14,19H,3-7,9,18H2,1-2H3,(H,21,22)
InChIKeyCVVSJBKXLVKCAB-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.87
Rot. Bonds6

About 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 71453355) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID71453355
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)CCNc1cc(NC2CCC(N)CC2)nc2ccnn12
InChIInChI=1S/C17H28N6/c1-12(2)7-9-19-17-11-15(22-16-8-10-20-23(16)17)21-14-5-3-13(18)4-6-14/h8,10-14,19H,3-7,9,18H2,1-2H3,(H,21,22)
InChIKeyCVVSJBKXLVKCAB-UHFFFAOYSA-N
XLogP2.87
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

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Related Compounds

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971313
N-octylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366057
5,6-Dimethyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366060
4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
CID 146558727
[4-[[3-Cyano-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 72199395
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4)-2-propenyl-, hydrochloride, hydrate (2:2:1)
CID 3054734
N-Hexyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366052
N-Heptyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366053
5-Methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366054
5-Chloro-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366058
5-Chloro-6-methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366059
5-Chloro-N-decylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366064

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 71453355) is 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is CC(C)CCNc1cc(NC2CCC(N)CC2)nc2ccnn12.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is CVVSJBKXLVKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-12(2)7-9-19-17-11-15(22-16-8-10-20-23(16)17)21-14-5-3-13(18)4-6-14/h8,10-14,19H,3-7,9,18H2,1-2H3,(H,21,22).
What are the key properties of 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 316.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 71453355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).