4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine

C14H18N4O2 — CID 80768337

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C14H18N4O2/c1-4-15-13-8-14(17-9-16-13)18-11-7-10(19-2)5-6-12(11)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyNDYFJOIKTMORQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.67
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80768337) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80768337
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C14H18N4O2/c1-4-15-13-8-14(17-9-16-13)18-11-7-10(19-2)5-6-12(11)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyNDYFJOIKTMORQT-UHFFFAOYSA-N
XLogP2.67
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80768337) is 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(OC)ccc2OC)ncn1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is NDYFJOIKTMORQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-15-13-8-14(17-9-16-13)18-11-7-10(19-2)5-6-12(11)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).