4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine

C14H19N5 — CID 19135206

IUPAC4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2cccc(C)c2C)c1N
InChIInChI=1S/C14H19N5/c1-4-16-13-12(15)14(18-8-17-13)19-11-7-5-6-9(2)10(11)3/h5-8H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyAFQMESKRQHKYAI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds4

About 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine

4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine (PubChem CID 19135206) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
PubChem CID19135206
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2cccc(C)c2C)c1N
InChIInChI=1S/C14H19N5/c1-4-16-13-12(15)14(18-8-17-13)19-11-7-5-6-9(2)10(11)3/h5-8H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyAFQMESKRQHKYAI-UHFFFAOYSA-N
XLogP2.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129
ethyl 2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzoate
CID 19135337
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine (CID 19135206) is 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine is CCNc1ncnc(Nc2cccc(C)c2C)c1N.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
The InChIKey is AFQMESKRQHKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-16-13-12(15)14(18-8-17-13)19-11-7-5-6-9(2)10(11)3/h5-8H,4,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine?
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).