6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C22H25N3O2 — CID 70977802

IUPAC6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3ccc(C)c(OC)c3)nc(C)n2)c1
InChIInChI=1S/C22H25N3O2/c1-14-9-10-18(12-21(14)27-5)20-13-22(25-16(3)24-20)23-15(2)17-7-6-8-19(11-17)26-4/h6-13,15H,1-5H3,(H,23,24,25)/t15-/m0/s1
InChIKeyCHFTZGTWFYYLGM-HNNXBMFYSA-N
MW363.46 g/mol
LogP4.95
Rot. Bonds6

About 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 70977802) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID70977802
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3ccc(C)c(OC)c3)nc(C)n2)c1
InChIInChI=1S/C22H25N3O2/c1-14-9-10-18(12-21(14)27-5)20-13-22(25-16(3)24-20)23-15(2)17-7-6-8-19(11-17)26-4/h6-13,15H,1-5H3,(H,23,24,25)/t15-/m0/s1
InChIKeyCHFTZGTWFYYLGM-HNNXBMFYSA-N
XLogP4.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 70977802) is 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is COc1cccc([C@H](C)Nc2cc(-c3ccc(C)c(OC)c3)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is CHFTZGTWFYYLGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-9-10-18(12-21(14)27-5)20-13-22(25-16(3)24-20)23-15(2)17-7-6-8-19(11-17)26-4/h6-13,15H,1-5H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 70977802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).