N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C14H14ClF3N4 — CID 11509091

IUPACN-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)Cc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N4/c1-22(2)8-9-7-19-13(21-12(9)14(16,17)18)20-11-5-3-4-10(15)6-11/h3-7H,8H2,1-2H3,(H,19,20,21)
InChIKeyKDRWNISQDHVFCP-UHFFFAOYSA-N
MW330.74 g/mol
LogP3.95
Rot. Bonds4

About N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 11509091) has the molecular formula C14H14ClF3N4 and a molecular weight of 330.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID11509091
Molecular FormulaC14H14ClF3N4
Molecular Weight330.74 g/mol
Exact Mass330.09
IUPAC NameN-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)Cc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N4/c1-22(2)8-9-7-19-13(21-12(9)14(16,17)18)20-11-5-3-4-10(15)6-11/h3-7H,8H2,1-2H3,(H,19,20,21)
InChIKeyKDRWNISQDHVFCP-UHFFFAOYSA-N
XLogP3.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 11509091) is N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN(C)Cc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F.
What is the InChIKey of N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KDRWNISQDHVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4/c1-22(2)8-9-7-19-13(21-12(9)14(16,17)18)20-11-5-3-4-10(15)6-11/h3-7H,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 330.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 11509091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).