N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine

C19H14F3N7 — CID 150372248

IUPACN-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)nc(-n2cnc(Nc3ccccn3)c2)n1
InChIInChI=1S/C19H14F3N7/c1-12-8-14(13-5-6-15(24-9-13)19(20,21)22)27-18(26-12)29-10-17(25-11-29)28-16-4-2-3-7-23-16/h2-11H,1H3,(H,23,28)
InChIKeyGXYXOPXQCMQJAN-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.19
Rot. Bonds4

About N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine

N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine (PubChem CID 150372248) has the molecular formula C19H14F3N7 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
PubChem CID150372248
Molecular FormulaC19H14F3N7
Molecular Weight397.36 g/mol
Exact Mass397.13
IUPAC NameN-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)nc(-n2cnc(Nc3ccccn3)c2)n1
InChIInChI=1S/C19H14F3N7/c1-12-8-14(13-5-6-15(24-9-13)19(20,21)22)27-18(26-12)29-10-17(25-11-29)28-16-4-2-3-7-23-16/h2-11H,1H3,(H,23,28)
InChIKeyGXYXOPXQCMQJAN-UHFFFAOYSA-N
XLogP4.19
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine (CID 150372248) is N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)nc2)nc(-n2cnc(Nc3ccccn3)c2)n1.
What is the InChIKey of N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is GXYXOPXQCMQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7/c1-12-8-14(13-5-6-15(24-9-13)19(20,21)22)27-18(26-12)29-10-17(25-11-29)28-16-4-2-3-7-23-16/h2-11H,1H3,(H,23,28).
What are the key properties of N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine?
N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 397.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 150372248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).