4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine

C18H18FN5 — CID 19143286

IUPAC4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)c(C)c1
InChIInChI=1S/C18H18FN5/c1-11-7-8-14(12(2)9-11)23-17-16(20)18(22-10-21-17)24-15-6-4-3-5-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyXAYRNRIVKPAXCP-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.30
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine

4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19143286) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19143286
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)c(C)c1
InChIInChI=1S/C18H18FN5/c1-11-7-8-14(12(2)9-11)23-17-16(20)18(22-10-21-17)24-15-6-4-3-5-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyXAYRNRIVKPAXCP-UHFFFAOYSA-N
XLogP4.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19143341
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine (CID 19143286) is 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is XAYRNRIVKPAXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-11-7-8-14(12(2)9-11)23-17-16(20)18(22-10-21-17)24-15-6-4-3-5-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine?
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 323.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).