2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C13H16N4 — CID 116796498

IUPAC2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(N)n1
InChIInChI=1S/C13H16N4/c1-3-17(11-6-4-5-10(2)9-11)13-15-8-7-12(14)16-13/h4-9H,3H2,1-2H3,(H2,14,15,16)
InChIKeyZDYIUKOXZLHTHB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds3

About 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 116796498) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID116796498
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(N)n1
InChIInChI=1S/C13H16N4/c1-3-17(11-6-4-5-10(2)9-11)13-15-8-7-12(14)16-13/h4-9H,3H2,1-2H3,(H2,14,15,16)
InChIKeyZDYIUKOXZLHTHB-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 116796498) is 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nccc(N)n1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZDYIUKOXZLHTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-17(11-6-4-5-10(2)9-11)13-15-8-7-12(14)16-13/h4-9H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).