5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine

C20H22N4 — CID 50961322

IUPAC5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C20H22N4/c1-4-16-13-22-15(3)23-20(16)24-19(18-9-11-21-12-10-18)17-7-5-14(2)6-8-17/h5-13,19H,4H2,1-3H3,(H,22,23,24)
InChIKeyLKDIKILKGQCXEK-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.25
Rot. Bonds5

About 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine

5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine (PubChem CID 50961322) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
PubChem CID50961322
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C20H22N4/c1-4-16-13-22-15(3)23-20(16)24-19(18-9-11-21-12-10-18)17-7-5-14(2)6-8-17/h5-13,19H,4H2,1-3H3,(H,22,23,24)
InChIKeyLKDIKILKGQCXEK-UHFFFAOYSA-N
XLogP4.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine (CID 50961322) is 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine is CCc1cnc(C)nc1NC(c1ccncc1)c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
The InChIKey is LKDIKILKGQCXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-16-13-22-15(3)23-20(16)24-19(18-9-11-21-12-10-18)17-7-5-14(2)6-8-17/h5-13,19H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine?
5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 50961322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).