N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H21N5 — CID 72871147

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5/c1-5-12-8-14(16-9-15-12)19(4)7-6-13-10(2)17-18-11(13)3/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyKJQYHGZPBDEEEF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 72871147) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID72871147
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5/c1-5-12-8-14(16-9-15-12)19(4)7-6-13-10(2)17-18-11(13)3/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyKJQYHGZPBDEEEF-UHFFFAOYSA-N
XLogP2.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 72871147) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is KJQYHGZPBDEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-12-8-14(16-9-15-12)19(4)7-6-13-10(2)17-18-11(13)3/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72871147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).