2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H24N4O2 — CID 112905325

IUPAC2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-5-25(16-8-6-7-15(2)13-16)20-11-12-22-21(24-20)23-18-14-17(26-3)9-10-19(18)27-4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyPTOLHADYILOXKS-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.70
Rot. Bonds7

About 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112905325) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112905325
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-5-25(16-8-6-7-15(2)13-16)20-11-12-22-21(24-20)23-18-14-17(26-3)9-10-19(18)27-4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyPTOLHADYILOXKS-UHFFFAOYSA-N
XLogP4.70
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966974
5-N-ethyl-3-N-(4-methoxyphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967453
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969630
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
4-N-[4-(diethylamino)phenyl]-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905309
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895655
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112905325) is 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1ccnc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is PTOLHADYILOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-25(16-8-6-7-15(2)13-16)20-11-12-22-21(24-20)23-18-14-17(26-3)9-10-19(18)27-4/h6-14H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112905325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).