N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine

C14H21N5 — CID 72886637

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5/c1-4-12-8-14(17-9-16-12)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDSFCZOUJAQCEQH-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.42
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine (PubChem CID 72886637) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine
PubChem CID72886637
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5/c1-4-12-8-14(17-9-16-12)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDSFCZOUJAQCEQH-UHFFFAOYSA-N
XLogP2.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine (CID 72886637) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine is CCc1cc(NCCCc2c(C)n[nH]c2C)ncn1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine?
The InChIKey is DSFCZOUJAQCEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-12-8-14(17-9-16-12)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 72886637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).