N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

C15H14ClF3N4O — CID 142022643

IUPACN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCDDCRQHFNOXXFZ-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.28
Rot. Bonds4

About N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 142022643) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID142022643
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC NameN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCDDCRQHFNOXXFZ-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 142022643) is N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is CDDCRQHFNOXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 358.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 142022643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).