6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine

C23H20FN5O — CID 155548271

IUPAC6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)ncn2)c(F)c1
InChIInChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3
InChIKeyTZRMSEJLPYCPEI-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.29
Rot. Bonds7

About 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine

6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 155548271) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID155548271
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)ncn2)c(F)c1
InChIInChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3
InChIKeyTZRMSEJLPYCPEI-UHFFFAOYSA-N
XLogP4.29
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 155548271) is 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine is COc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)ncn2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is TZRMSEJLPYCPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3.
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 401.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 155548271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).