N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

C15H21N5 — CID 72890352

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NCCCn2nccc2C2CC2)c1C
InChIInChI=1S/C15H21N5/c1-11-12(2)17-10-18-15(11)16-7-3-9-20-14(6-8-19-20)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyNOEMXXHRERAEEW-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.67
Rot. Bonds6

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 72890352) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID72890352
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NCCCn2nccc2C2CC2)c1C
InChIInChI=1S/C15H21N5/c1-11-12(2)17-10-18-15(11)16-7-3-9-20-14(6-8-19-20)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17,18)
InChIKeyNOEMXXHRERAEEW-UHFFFAOYSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.67
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-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (CID 72890352) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is Cc1ncnc(NCCCn2nccc2C2CC2)c1C.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is NOEMXXHRERAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-12(2)17-10-18-15(11)16-7-3-9-20-14(6-8-19-20)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 72890352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).