5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C15H13Cl2F3N4 — CID 11717781

IUPAC5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1CNC1CC1
InChIInChI=1S/C15H13Cl2F3N4/c16-9-1-4-12(11(17)5-9)23-14-22-7-8(6-21-10-2-3-10)13(24-14)15(18,19)20/h1,4-5,7,10,21H,2-3,6H2,(H,22,23,24)
InChIKeyWXLNCBLGKPOPLP-UHFFFAOYSA-N
MW377.20 g/mol
LogP4.80
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 11717781) has the molecular formula C15H13Cl2F3N4 and a molecular weight of 377.20 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID11717781
Molecular FormulaC15H13Cl2F3N4
Molecular Weight377.20 g/mol
Exact Mass376.05
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1CNC1CC1
InChIInChI=1S/C15H13Cl2F3N4/c16-9-1-4-12(11(17)5-9)23-14-22-7-8(6-21-10-2-3-10)13(24-14)15(18,19)20/h1,4-5,7,10,21H,2-3,6H2,(H,22,23,24)
InChIKeyWXLNCBLGKPOPLP-UHFFFAOYSA-N
XLogP4.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321947
2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 175271767
[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 69232407
N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 11509091
N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783947
2-[2-chloro-4-(trifluoromethyl)anilino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 87518431
2-(2,5-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10253142
2-(2-bromo-4-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68621429
2-(2-chloro-4-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620655
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 11717781) is 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WXLNCBLGKPOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N4/c16-9-1-4-12(11(17)5-9)23-14-22-7-8(6-21-10-2-3-10)13(24-14)15(18,19)20/h1,4-5,7,10,21H,2-3,6H2,(H,22,23,24).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 377.20 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 11717781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).