N-butylpyrazolo[1,5-a]pyrimidin-5-amine

C10H14N4 — CID 86697416

IUPACN-butylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13)
InChIKeyCTLHUJXIVFTLIJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.94
Rot. Bonds4

About N-butylpyrazolo[1,5-a]pyrimidin-5-amine

N-butylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 86697416) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-butylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-butylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID86697416
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-butylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13)
InChIKeyCTLHUJXIVFTLIJ-UHFFFAOYSA-N
XLogP1.94
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415181

Frequently Asked Questions

What is the IUPAC name of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-butylpyrazolo[1,5-a]pyrimidin-5-amine (CID 86697416) is N-butylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-butylpyrazolo[1,5-a]pyrimidin-5-amine is CCCCNc1ccn2nccc2n1.
What is the InChIKey of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CTLHUJXIVFTLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13).
What are the key properties of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
N-butylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 190.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 86697416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).