4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C11H9Cl2F3N4 — CID 154407188

IUPAC4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2cccc(Cl)c2Cl)C(C(F)(F)F)=CN1
InChIInChI=1S/C11H9Cl2F3N4/c12-6-3-1-2-5(8(6)13)10(18)7(11(14,15)16)4-19-9(17)20-10/h1-4H,18H2,(H3,17,19,20)
InChIKeyFYTVUAGDLKVCRD-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.47
Rot. Bonds1

About 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154407188) has the molecular formula C11H9Cl2F3N4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID154407188
Molecular FormulaC11H9Cl2F3N4
Molecular Weight325.12 g/mol
Exact Mass324.02
IUPAC Name4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2cccc(Cl)c2Cl)C(C(F)(F)F)=CN1
InChIInChI=1S/C11H9Cl2F3N4/c12-6-3-1-2-5(8(6)13)10(18)7(11(14,15)16)4-19-9(17)20-10/h1-4H,18H2,(H3,17,19,20)
InChIKeyFYTVUAGDLKVCRD-UHFFFAOYSA-N
XLogP2.47
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 154407188) is 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2cccc(Cl)c2Cl)C(C(F)(F)F)=CN1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is FYTVUAGDLKVCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N4/c12-6-3-1-2-5(8(6)13)10(18)7(11(14,15)16)4-19-9(17)20-10/h1-4H,18H2,(H3,17,19,20).
What are the key properties of 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 325.12 g/mol, XLogP of 2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154407188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).