4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine

C20H17F2N7O — CID 135241033

IUPAC4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCOCc1cccc(CC2(c3cc(-c4cccc(F)c4F)nc(N)n3)C=NN=N2)n1
InChIInChI=1S/C20H17F2N7O/c1-30-10-13-5-2-4-12(25-13)9-20(11-24-29-28-20)17-8-16(26-19(23)27-17)14-6-3-7-15(21)18(14)22/h2-8,11H,9-10H2,1H3,(H2,23,26,27)
InChIKeyILOLQNQYFKADOT-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.43
Rot. Bonds6

About 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine

4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (PubChem CID 135241033) has the molecular formula C20H17F2N7O and a molecular weight of 409.40 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
PubChem CID135241033
Molecular FormulaC20H17F2N7O
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC Name4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCOCc1cccc(CC2(c3cc(-c4cccc(F)c4F)nc(N)n3)C=NN=N2)n1
InChIInChI=1S/C20H17F2N7O/c1-30-10-13-5-2-4-12(25-13)9-20(11-24-29-28-20)17-8-16(26-19(23)27-17)14-6-3-7-15(21)18(14)22/h2-8,11H,9-10H2,1H3,(H2,23,26,27)
InChIKeyILOLQNQYFKADOT-UHFFFAOYSA-N
XLogP3.43
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-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 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (CID 135241033) is 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is COCc1cccc(CC2(c3cc(-c4cccc(F)c4F)nc(N)n3)C=NN=N2)n1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The InChIKey is ILOLQNQYFKADOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O/c1-30-10-13-5-2-4-12(25-13)9-20(11-24-29-28-20)17-8-16(26-19(23)27-17)14-6-3-7-15(21)18(14)22/h2-8,11H,9-10H2,1H3,(H2,23,26,27).
What are the key properties of 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine has a molecular weight of 409.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-[4-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 135241033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).