N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H13F3N6 — CID 126508793

IUPACN-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccncc1)c1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12
InChIInChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26)
InChIKeyCYDXLJGVQOEMHR-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.20
Rot. Bonds3

About N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126508793) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126508793
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC NameN-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccncc1)c1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12
InChIInChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26)
InChIKeyCYDXLJGVQOEMHR-UHFFFAOYSA-N
XLogP4.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126508793) is N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ccncc1)c1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12.
What is the InChIKey of N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CYDXLJGVQOEMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26).
What are the key properties of N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126508793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).