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

C23H25N3O — CID 127024673

IUPAC6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCCOc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C23H25N3O/c1-3-27-19-11-6-10-18(14-19)22-15-23(25-16(2)24-22)26-21-13-7-9-17-8-4-5-12-20(17)21/h4-6,8,10-12,14-15,21H,3,7,9,13H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyQGYSTVNYOHJBRY-OAQYLSRUSA-N
MW359.47 g/mol
LogP5.34
Rot. Bonds5

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

6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 127024673) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID127024673
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCCOc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C23H25N3O/c1-3-27-19-11-6-10-18(14-19)22-15-23(25-16(2)24-22)26-21-13-7-9-17-8-4-5-12-20(17)21/h4-6,8,10-12,14-15,21H,3,7,9,13H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyQGYSTVNYOHJBRY-OAQYLSRUSA-N
XLogP5.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 127024673) is 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is CCOc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is QGYSTVNYOHJBRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-27-19-11-6-10-18(14-19)22-15-23(25-16(2)24-22)26-21-13-7-9-17-8-4-5-12-20(17)21/h4-6,8,10-12,14-15,21H,3,7,9,13H2,1-2H3,(H,24,25,26)/t21-/m1/s1.
What are the key properties of 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 359.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 127024673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).