6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine

C23H25N3O2 — CID 166382927

IUPAC6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(NC3CCCc4ccc(OC)cc4C3)ncn2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-20-9-7-17(8-10-20)22-14-23(25-15-24-22)26-19-5-3-4-16-6-11-21(28-2)13-18(16)12-19/h6-11,13-15,19H,3-5,12H2,1-2H3,(H,24,25,26)
InChIKeyAIBIXROTVDFJSS-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.52
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine

6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine (PubChem CID 166382927) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
PubChem CID166382927
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(NC3CCCc4ccc(OC)cc4C3)ncn2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-20-9-7-17(8-10-20)22-14-23(25-15-24-22)26-19-5-3-4-16-6-11-21(28-2)13-18(16)12-19/h6-11,13-15,19H,3-5,12H2,1-2H3,(H,24,25,26)
InChIKeyAIBIXROTVDFJSS-UHFFFAOYSA-N
XLogP4.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine with MolForge

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Related Compounds

7-methoxy-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)quinolin-2-amine
CID 166382913
4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 166382908
2-(cyclopropylmethyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-6-methylpyrimidin-4-amine
CID 166382888
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine (CID 166382927) is 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine is COc1ccc(-c2cc(NC3CCCc4ccc(OC)cc4C3)ncn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine?
The InChIKey is AIBIXROTVDFJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-20-9-7-17(8-10-20)22-14-23(25-15-24-22)26-19-5-3-4-16-6-11-21(28-2)13-18(16)12-19/h6-11,13-15,19H,3-5,12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine?
6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine has a molecular weight of 375.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 166382927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).