2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C13H16N4 — CID 80761602

IUPAC2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4/c1-3-14-13-15-9-8-12(17-13)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyGIOYDIWNAWFNAF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.96
Rot. Bonds4

About 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80761602) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80761602
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4/c1-3-14-13-15-9-8-12(17-13)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyGIOYDIWNAWFNAF-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
ethyl 4-[[4-(4-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112901962
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890498
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80748841
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 80761602) is 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is CCNc1nccc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GIOYDIWNAWFNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-14-13-15-9-8-12(17-13)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80761602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).