4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine

C20H23N5O4 — CID 19142820

IUPAC4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3ccc(OC)cc3OC)c2N)c(OC)c1
InChIInChI=1S/C20H23N5O4/c1-26-12-5-7-14(16(9-12)28-3)24-19-18(21)20(23-11-22-19)25-15-8-6-13(27-2)10-17(15)29-4/h5-11H,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyIRUNSGKPIQMEDA-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.58
Rot. Bonds8

About 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142820) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142820
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3ccc(OC)cc3OC)c2N)c(OC)c1
InChIInChI=1S/C20H23N5O4/c1-26-12-5-7-14(16(9-12)28-3)24-19-18(21)20(23-11-22-19)25-15-8-6-13(27-2)10-17(15)29-4/h5-11H,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyIRUNSGKPIQMEDA-UHFFFAOYSA-N
XLogP3.58
TPSA112.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19142877
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542762
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142964
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142820) is 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(Nc3ccc(OC)cc3OC)c2N)c(OC)c1.
What is the InChIKey of 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is IRUNSGKPIQMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-26-12-5-7-14(16(9-12)28-3)24-19-18(21)20(23-11-22-19)25-15-8-6-13(27-2)10-17(15)29-4/h5-11H,21H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 397.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).