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

C18H13F3N6 — CID 126537551

IUPACN-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12
InChIInChI=1S/C18H13F3N6/c1-10-9-22-7-6-12(10)25-16-11-5-8-23-15(11)26-17(27-16)13-3-2-4-14(24-13)18(19,20)21/h2-9H,1H3,(H2,22,23,25,26,27)
InChIKeyOLMTUPIGVFMHDY-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.49
Rot. Bonds3

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

N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126537551) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126537551
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC NameN-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12
InChIInChI=1S/C18H13F3N6/c1-10-9-22-7-6-12(10)25-16-11-5-8-23-15(11)26-17(27-16)13-3-2-4-14(24-13)18(19,20)21/h2-9H,1H3,(H2,22,23,25,26,27)
InChIKeyOLMTUPIGVFMHDY-UHFFFAOYSA-N
XLogP4.49
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126537551) is N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nc2[nH]ccc12.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OLMTUPIGVFMHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-10-9-22-7-6-12(10)25-16-11-5-8-23-15(11)26-17(27-16)13-3-2-4-14(24-13)18(19,20)21/h2-9H,1H3,(H2,22,23,25,26,27).
What are the key properties of N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).