5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H7Cl2F3N4 — CID 11537089

IUPAC5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20)
InChIKeySPKBXMZTSMUUSA-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.63
Rot. Bonds1

About 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 11537089) has the molecular formula C11H7Cl2F3N4 and a molecular weight of 323.11 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID11537089
Molecular FormulaC11H7Cl2F3N4
Molecular Weight323.11 g/mol
Exact Mass322.00
IUPAC Name5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20)
InChIKeySPKBXMZTSMUUSA-UHFFFAOYSA-N
XLogP3.63
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 3060073
3-(2,5-dichlorophenyl)pyridine-2,6-diamine
CID 66637020
[2-amino-3-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119005469
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
N-[2-amino-5-(2,3-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
CID 54559397
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
5-chloro-3-(6-chloro-2,3-difluorophenyl)pyridin-2-amine
CID 114275267
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
CID 175086452
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 11537089) is 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SPKBXMZTSMUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20).
What are the key properties of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 323.11 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).