4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine

C15H20N4O — CID 112856738

IUPAC4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NCCOC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyVFWJUTKLRQJZLO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.84
Rot. Bonds7

About 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine

4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (PubChem CID 112856738) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
PubChem CID112856738
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NCCOC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyVFWJUTKLRQJZLO-UHFFFAOYSA-N
XLogP2.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865366
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
methyl 3-[[6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865380
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (CID 112856738) is 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(NCCOC)ncn1.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is VFWJUTKLRQJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-6-4-5-7-13(12)19-15-10-14(17-11-18-15)16-8-9-20-2/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).