5-(4-ethylphenyl)pyrimidin-4-amine

C12H13N3 — CID 82282209

IUPAC5-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccc(-c2cncnc2N)cc1
InChIInChI=1S/C12H13N3/c1-2-9-3-5-10(6-4-9)11-7-14-8-15-12(11)13/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyRXGISBIYQKYSDN-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.29
Rot. Bonds2

About 5-(4-ethylphenyl)pyrimidin-4-amine

5-(4-ethylphenyl)pyrimidin-4-amine (PubChem CID 82282209) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-(4-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)pyrimidin-4-amine
PubChem CID82282209
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccc(-c2cncnc2N)cc1
InChIInChI=1S/C12H13N3/c1-2-9-3-5-10(6-4-9)11-7-14-8-15-12(11)13/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyRXGISBIYQKYSDN-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-ethylphenyl)pyrimidin-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

Related Compounds

5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
3-(4-ethylphenyl)-4-methylpyridine
CID 121385790
5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
CID 175815452
4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79918508
2-bromo-5-(4-ethylphenyl)pyrimidine
CID 88928784
2-chloro-5-(4-ethylphenyl)pyrimidine
CID 82114110
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
(2R)-2-amino-2-[4-(4-methylpyrimidin-5-yl)phenyl]ethanol
CID 170955677
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
(2R,3R,5S)-2-[4-amino-5-(4-ethylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 138579691

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-ethylphenyl)pyrimidin-4-amine (CID 82282209) is 5-(4-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-ethylphenyl)pyrimidin-4-amine is CCc1ccc(-c2cncnc2N)cc1.
What is the InChIKey of 5-(4-ethylphenyl)pyrimidin-4-amine?
The InChIKey is RXGISBIYQKYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-9-3-5-10(6-4-9)11-7-14-8-15-12(11)13/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 5-(4-ethylphenyl)pyrimidin-4-amine?
5-(4-ethylphenyl)pyrimidin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82282209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).