4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine

C14H18N4O — CID 80762592

IUPAC4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1nc(C)nc(N)c1C
InChIInChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyKVZUIRMUCGCMAL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.82
Rot. Bonds4

About 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80762592) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80762592
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1nc(C)nc(N)c1C
InChIInChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyKVZUIRMUCGCMAL-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]benzonitrile
CID 80761209
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80763275
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80762592) is 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine is CCOc1ccccc1Nc1nc(C)nc(N)c1C.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is KVZUIRMUCGCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).