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

C25H23N3 — CID 127024617

IUPAC2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C25H23N3/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)28-23-12-6-10-19-8-4-5-11-22(19)23/h2-5,7-9,11,13-16,23H,6,10,12H2,1H3,(H,26,27,28)/t23-/m1/s1
InChIKeyAZAAPOVQTZCSJV-HSZRJFAPSA-N
MW365.48 g/mol
LogP6.09
Rot. Bonds3

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

2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 127024617) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID127024617
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C25H23N3/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)28-23-12-6-10-19-8-4-5-11-22(19)23/h2-5,7-9,11,13-16,23H,6,10,12H2,1H3,(H,26,27,28)/t23-/m1/s1
InChIKeyAZAAPOVQTZCSJV-HSZRJFAPSA-N
XLogP6.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 127024617) is 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is AZAAPOVQTZCSJV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23N3/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)28-23-12-6-10-19-8-4-5-11-22(19)23/h2-5,7-9,11,13-16,23H,6,10,12H2,1H3,(H,26,27,28)/t23-/m1/s1.
What are the key properties of 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-naphthalen-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 127024617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).