6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

C20H22N4O — CID 112865234

IUPAC6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-17(18)24-20-12-19(21-13-22-20)23-16-10-9-14(2)15(3)11-16/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyQNXRKXMSXBTTCV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.98
Rot. Bonds6

About 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865234) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865234
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-17(18)24-20-12-19(21-13-22-20)23-16-10-9-14(2)15(3)11-16/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyQNXRKXMSXBTTCV-UHFFFAOYSA-N
XLogP4.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298
methyl 2-[[6-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866294
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
N-(3,4-dimethylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109198092
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878464
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (CID 112865234) is 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(Nc2ccc(C)c(C)c2)ncn1.
What is the InChIKey of 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is QNXRKXMSXBTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-17(18)24-20-12-19(21-13-22-20)23-16-10-9-14(2)15(3)11-16/h5-13H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).