N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine

C18H16F2N4O — CID 71086594

IUPACN-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)cccc3F)nc2)cn1
InChIInChI=1S/C18H16F2N4O/c1-11-6-17(25-2)21-9-13(11)12-7-22-18(23-8-12)24-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyAYUGLQZBCOPLGZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.75
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine

N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 71086594) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine
PubChem CID71086594
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)cccc3F)nc2)cn1
InChIInChI=1S/C18H16F2N4O/c1-11-6-17(25-2)21-9-13(11)12-7-22-18(23-8-12)24-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyAYUGLQZBCOPLGZ-UHFFFAOYSA-N
XLogP3.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine (CID 71086594) is N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine is COc1cc(C)c(-c2cnc(NCc3c(F)cccc3F)nc2)cn1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is AYUGLQZBCOPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-6-17(25-2)21-9-13(11)12-7-22-18(23-8-12)24-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 342.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-(6-methoxy-4-methyl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 71086594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).