N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C13H19N5 — CID 50830697

IUPACN-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCCCNc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C13H19N5/c1-4-5-6-14-12-8-13(16-9-15-12)18-11(3)7-10(2)17-18/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyJSRZJNXFHWVYBA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds5

About N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 50830697) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID50830697
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCCCNc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C13H19N5/c1-4-5-6-14-12-8-13(16-9-15-12)18-11(3)7-10(2)17-18/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyJSRZJNXFHWVYBA-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 50830697) is N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is CCCCNc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is JSRZJNXFHWVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-6-14-12-8-13(16-9-15-12)18-11(3)7-10(2)17-18/h7-9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 50830697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).