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

C22H23N3O — CID 78076620

IUPAC6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C22H23N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24,25)
InChIKeyQUXWHQILHNFPCI-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.95
Rot. Bonds4

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

6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 78076620) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID78076620
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C22H23N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24,25)
InChIKeyQUXWHQILHNFPCI-UHFFFAOYSA-N
XLogP4.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 78076620) is 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is COc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is QUXWHQILHNFPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-23-21(17-9-5-10-18(13-17)26-2)14-22(24-15)25-20-12-6-8-16-7-3-4-11-19(16)20/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 78076620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).