4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine

C14H18N4 — CID 79918508

IUPAC4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
SMILESCCc1ccc(CN(C)c2ncncc2N)cc1
InChIInChI=1S/C14H18N4/c1-3-11-4-6-12(7-5-11)9-18(2)14-13(15)8-16-10-17-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyHZHCPMCNRSQWLA-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.26
Rot. Bonds4

About 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine

4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine (PubChem CID 79918508) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
PubChem CID79918508
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
SMILESCCc1ccc(CN(C)c2ncncc2N)cc1
InChIInChI=1S/C14H18N4/c1-3-11-4-6-12(7-5-11)9-18(2)14-13(15)8-16-10-17-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyHZHCPMCNRSQWLA-UHFFFAOYSA-N
XLogP2.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
Fanotaprim
CID 134812633
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
N-benzylpyrimidin-5-amine
CID 819920
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
2,4-Disubstituted Pyrimidine 5g
CID 5329442
2,4-Disubstituted Pyrimidine 5h
CID 5329443
2,4-Disubstituted Pyrimidine 5j
CID 5329445

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine (CID 79918508) is 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine is CCc1ccc(CN(C)c2ncncc2N)cc1.
What is the InChIKey of 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is HZHCPMCNRSQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-11-4-6-12(7-5-11)9-18(2)14-13(15)8-16-10-17-14/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine?
4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 79918508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).