4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O3 — CID 112902093

IUPAC4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(N(C)c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O3/c1-24(15-8-6-5-7-9-15)18-10-11-21-20(23-18)22-14-12-16(25-2)19(27-4)17(13-14)26-3/h5-13H,1-4H3,(H,21,22,23)
InChIKeyRXXQTZXNQXFIBW-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.01
Rot. Bonds7

About 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112902093) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112902093
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(N(C)c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O3/c1-24(15-8-6-5-7-9-15)18-10-11-21-20(23-18)22-14-12-16(25-2)19(27-4)17(13-14)26-3/h5-13H,1-4H3,(H,21,22,23)
InChIKeyRXXQTZXNQXFIBW-UHFFFAOYSA-N
XLogP4.01
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
methyl 4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902069
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
4-N-(6,7-difluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 71224948
4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 69231092
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
2-N-(3,4-dimethoxyphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927517
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
ethyl 2-[quinolin-3-yl-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]acetate
CID 20826893
4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112902093) is 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nccc(N(C)c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is RXXQTZXNQXFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24(15-8-6-5-7-9-15)18-10-11-21-20(23-18)22-14-12-16(25-2)19(27-4)17(13-14)26-3/h5-13H,1-4H3,(H,21,22,23).
What are the key properties of 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).