5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C14H23N5 — CID 162677097

IUPAC5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1
InChIInChI=1S/C14H23N5/c1-13(2,3)17-10-9-12(18-14(4,5)6)19-11(16-10)7-8-15-19/h7-9,18H,1-6H3,(H,16,17)
InChIKeyNXPGWTWBYSRVND-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds2

About 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 162677097) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID162677097
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1
InChIInChI=1S/C14H23N5/c1-13(2,3)17-10-9-12(18-14(4,5)6)19-11(16-10)7-8-15-19/h7-9,18H,1-6H3,(H,16,17)
InChIKeyNXPGWTWBYSRVND-UHFFFAOYSA-N
XLogP3.15
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971313
Pyrazolo(1,5-a)pyrimidine
CID 11636795
5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971312
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
Mls003171035
CID 335401
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
N,2-dimethyl-8-pent-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874175
N,2-dimethyl-8-prop-1-ynylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874300
2,4-Dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13000580
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
(1,2,4)Triazolo(4,3-c)pyrimidin-3-amine
CID 18769977

Frequently Asked Questions

What is the IUPAC name of 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 162677097) is 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1.
What is the InChIKey of 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is NXPGWTWBYSRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-13(2,3)17-10-9-12(18-14(4,5)6)19-11(16-10)7-8-15-19/h7-9,18H,1-6H3,(H,16,17).
What are the key properties of 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 261.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 162677097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).