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

C22H23N3 — CID 127035360

IUPAC2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C22H23N3/c1-15-7-5-10-18(13-15)21-14-22(24-16(2)23-21)25-20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3,(H,23,24,25)/t20-/m1/s1
InChIKeyWBUYKLPWXGXXBB-HXUWFJFHSA-N
MW329.45 g/mol
LogP5.25
Rot. Bonds3

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

2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 127035360) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID127035360
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C22H23N3/c1-15-7-5-10-18(13-15)21-14-22(24-16(2)23-21)25-20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3,(H,23,24,25)/t20-/m1/s1
InChIKeyWBUYKLPWXGXXBB-HXUWFJFHSA-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-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 127035360) is 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is Cc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is WBUYKLPWXGXXBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-7-5-10-18(13-15)21-14-22(24-16(2)23-21)25-20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3,(H,23,24,25)/t20-/m1/s1.
What are the key properties of 2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
2-methyl-6-(3-methylphenyl)-N-[(1R)-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-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 127035360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).