4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

C16H22N4O — CID 115915730

IUPAC4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCOCCN(C)c1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-4-21-11-10-20(3)15-12-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyJEPULXVYUMBUMK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.66
Rot. Bonds7

About 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915730) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID115915730
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCOCCN(C)c1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-4-21-11-10-20(3)15-12-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyJEPULXVYUMBUMK-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915445
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
4-N-cyclopropyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 112559797
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline
CID 54178939
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (CID 115915730) is 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is CCOCCN(C)c1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is JEPULXVYUMBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-21-11-10-20(3)15-12-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).