4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine

C18H19N5 — CID 22544115

IUPAC4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(Nc2ccccc2)c1N
InChIInChI=1S/C18H19N5/c1-2-13-8-6-7-11-15(13)23-18-16(19)17(20-12-21-18)22-14-9-4-3-5-10-14/h3-12H,2,19H2,1H3,(H2,20,21,22,23)
InChIKeyNMPFULCYIXWMNB-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.11
Rot. Bonds5

About 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine

4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 22544115) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
PubChem CID22544115
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
SMILESCCc1ccccc1Nc1ncnc(Nc2ccccc2)c1N
InChIInChI=1S/C18H19N5/c1-2-13-8-6-7-11-15(13)23-18-16(19)17(20-12-21-18)22-14-9-4-3-5-10-14/h3-12H,2,19H2,1H3,(H2,20,21,22,23)
InChIKeyNMPFULCYIXWMNB-UHFFFAOYSA-N
XLogP4.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
dimethyl 5-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22544031
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
methyl 2-[(5-amino-6-anilinopyrimidin-4-yl)amino]benzoate
CID 19146204
6-N-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine (CID 22544115) is 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine is CCc1ccccc1Nc1ncnc(Nc2ccccc2)c1N.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is NMPFULCYIXWMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-13-8-6-7-11-15(13)23-18-16(19)17(20-12-21-18)22-14-9-4-3-5-10-14/h3-12H,2,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 305.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).