2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C22H23N3 — CID 123793614

IUPAC2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C22H23N3/c1-15-10-12-18(13-11-15)21-14-22(24-16(2)23-21)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-14,20H,5,7,9H2,1-2H3,(H,23,24,25)
InChIKeyFZBOBLWCVYWVLW-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.25
Rot. Bonds3

About 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 123793614) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID123793614
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C22H23N3/c1-15-10-12-18(13-11-15)21-14-22(24-16(2)23-21)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-14,20H,5,7,9H2,1-2H3,(H,23,24,25)
InChIKeyFZBOBLWCVYWVLW-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 123793614) is 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is Cc1ccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is FZBOBLWCVYWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-10-12-18(13-11-15)21-14-22(24-16(2)23-21)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-14,20H,5,7,9H2,1-2H3,(H,23,24,25).
What are the key properties of 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 123793614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).