N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

C19H18F3N5O — CID 118129400

IUPACN-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(-c2cc(NC)ncn2)cc1-c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C19H18F3N5O/c1-10-4-5-11(19(20,21)22)6-12(10)13-7-15(27-17(13)18(28)24-3)14-8-16(23-2)26-9-25-14/h4-9,27H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyATOKBYMEDMMCKI-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 118129400) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID118129400
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(-c2cc(NC)ncn2)cc1-c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C19H18F3N5O/c1-10-4-5-11(19(20,21)22)6-12(10)13-7-15(27-17(13)18(28)24-3)14-8-16(23-2)26-9-25-14/h4-9,27H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyATOKBYMEDMMCKI-UHFFFAOYSA-N
XLogP3.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 118129400) is N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(-c2cc(NC)ncn2)cc1-c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ATOKBYMEDMMCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-10-4-5-11(19(20,21)22)6-12(10)13-7-15(27-17(13)18(28)24-3)14-8-16(23-2)26-9-25-14/h4-9,27H,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118129400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).