4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C18H20ClF3N4O — CID 44821870

IUPAC4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20ClF3N4O/c1-12(11-26-6-8-27-9-7-26)23-17-24-15(10-16(25-17)18(20,21)22)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,24,25)
InChIKeyVHCVXBKIIHCMIW-UHFFFAOYSA-N
MW400.83 g/mol
LogP3.95
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821870) has the molecular formula C18H20ClF3N4O and a molecular weight of 400.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821870
Molecular FormulaC18H20ClF3N4O
Molecular Weight400.83 g/mol
Exact Mass400.13
IUPAC Name4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20ClF3N4O/c1-12(11-26-6-8-27-9-7-26)23-17-24-15(10-16(25-17)18(20,21)22)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,24,25)
InChIKeyVHCVXBKIIHCMIW-UHFFFAOYSA-N
XLogP3.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821870) is 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VHCVXBKIIHCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O/c1-12(11-26-6-8-27-9-7-26)23-17-24-15(10-16(25-17)18(20,21)22)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,24,25).
What are the key properties of 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 400.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).