6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine

C19H20N4O — CID 72894930

IUPAC6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(c2ccncc2)c2ccc(OC)cc2)ncn1
InChIInChI=1S/C19H20N4O/c1-3-16-12-18(22-13-21-16)23-19(15-8-10-20-11-9-15)14-4-6-17(24-2)7-5-14/h4-13,19H,3H2,1-2H3,(H,21,22,23)
InChIKeyPXJRYPVHRIPFEB-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.64
Rot. Bonds6

About 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine

6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine (PubChem CID 72894930) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
PubChem CID72894930
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(c2ccncc2)c2ccc(OC)cc2)ncn1
InChIInChI=1S/C19H20N4O/c1-3-16-12-18(22-13-21-16)23-19(15-8-10-20-11-9-15)14-4-6-17(24-2)7-5-14/h4-13,19H,3H2,1-2H3,(H,21,22,23)
InChIKeyPXJRYPVHRIPFEB-UHFFFAOYSA-N
XLogP3.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine (CID 72894930) is 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine is CCc1cc(NC(c2ccncc2)c2ccc(OC)cc2)ncn1.
What is the InChIKey of 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The InChIKey is PXJRYPVHRIPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-16-12-18(22-13-21-16)23-19(15-8-10-20-11-9-15)14-4-6-17(24-2)7-5-14/h4-13,19H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 72894930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).