2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C20H24F3N5O2 — CID 162659594

IUPAC2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-27(8-7-15-5-3-2-4-6-15)19-25-16(18(29)24-14-20(21,22)23)13-17(26-19)28-9-11-30-12-10-28/h2-6,13H,7-12,14H2,1H3,(H,24,29)
InChIKeyHCXZFZMNFBBXFN-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.28
Rot. Bonds7

About 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 162659594) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID162659594
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-27(8-7-15-5-3-2-4-6-15)19-25-16(18(29)24-14-20(21,22)23)13-17(26-19)28-9-11-30-12-10-28/h2-6,13H,7-12,14H2,1H3,(H,24,29)
InChIKeyHCXZFZMNFBBXFN-UHFFFAOYSA-N
XLogP2.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 162659594) is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC(F)(F)F)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is HCXZFZMNFBBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-27(8-7-15-5-3-2-4-6-15)19-25-16(18(29)24-14-20(21,22)23)13-17(26-19)28-9-11-30-12-10-28/h2-6,13H,7-12,14H2,1H3,(H,24,29).
What are the key properties of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162659594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).