6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine

C22H26N4O2 — CID 112874986

IUPAC6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14-6-7-15(2)18(10-14)26-22-12-21(24-16(3)25-22)23-13-17-8-9-19(27-4)20(11-17)28-5/h6-12H,13H2,1-5H3,(H2,23,24,25,26)
InChIKeyFBRGHFXAFMQMRN-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.77
Rot. Bonds7

About 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine

6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112874986) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112874986
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14-6-7-15(2)18(10-14)26-22-12-21(24-16(3)25-22)23-13-17-8-9-19(27-4)20(11-17)28-5/h6-12H,13H2,1-5H3,(H2,23,24,25,26)
InChIKeyFBRGHFXAFMQMRN-UHFFFAOYSA-N
XLogP4.77
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112874979
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
4-N-(2,4-dimethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872941
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922793
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962
4-N-(5-chloro-2-methylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922812
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956355

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112874986) is 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is COc1ccc(CNc2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC.
What is the InChIKey of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is FBRGHFXAFMQMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-6-7-15(2)18(10-14)26-22-12-21(24-16(3)25-22)23-13-17-8-9-19(27-4)20(11-17)28-5/h6-12H,13H2,1-5H3,(H2,23,24,25,26).
What are the key properties of 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112874986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).