6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

C19H21N5O2 — CID 19142831

IUPAC6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C19H21N5O2/c1-24(13-7-5-4-6-8-13)19-17(20)18(21-12-22-19)23-15-10-9-14(25-2)11-16(15)26-3/h4-12H,20H2,1-3H3,(H,21,22,23)
InChIKeyVADOCDXFSUYVTP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.59
Rot. Bonds6

About 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19142831) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19142831
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C19H21N5O2/c1-24(13-7-5-4-6-8-13)19-17(20)18(21-12-22-19)23-15-10-9-14(25-2)11-16(15)26-3/h4-12H,20H2,1-3H3,(H,21,22,23)
InChIKeyVADOCDXFSUYVTP-UHFFFAOYSA-N
XLogP3.59
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 19142831) is 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)c(OC)c1.
What is the InChIKey of 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is VADOCDXFSUYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24(13-7-5-4-6-8-13)19-17(20)18(21-12-22-19)23-15-10-9-14(25-2)11-16(15)26-3/h4-12H,20H2,1-3H3,(H,21,22,23).
What are the key properties of 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 351.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).