6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

C16H16F3N5O2 — CID 118484368

IUPAC6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c1-9-6-12(24-15(22-9)16(17,18)19)14(25)23-10-2-3-11(21-7-10)13-8-20-4-5-26-13/h2-3,6-7,13,20H,4-5,8H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyWFXXWKPWSMBOPL-ZDUSSCGKSA-N
MW367.33 g/mol
LogP2.11
Rot. Bonds3

About 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 118484368) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID118484368
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c1-9-6-12(24-15(22-9)16(17,18)19)14(25)23-10-2-3-11(21-7-10)13-8-20-4-5-26-13/h2-3,6-7,13,20H,4-5,8H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyWFXXWKPWSMBOPL-ZDUSSCGKSA-N
XLogP2.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 118484368) is 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is WFXXWKPWSMBOPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-9-6-12(24-15(22-9)16(17,18)19)14(25)23-10-2-3-11(21-7-10)13-8-20-4-5-26-13/h2-3,6-7,13,20H,4-5,8H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 118484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).