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

C17H24N4O — CID 112856745

IUPAC4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NCCOC)ncn1
InChIInChI=1S/C17H24N4O/c1-4-13-7-6-8-14(5-2)17(13)21-16-11-15(19-12-20-16)18-9-10-22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyRTKFBDJNLNOBBN-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.40
Rot. Bonds8

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

4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (PubChem CID 112856745) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
PubChem CID112856745
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NCCOC)ncn1
InChIInChI=1S/C17H24N4O/c1-4-13-7-6-8-14(5-2)17(13)21-16-11-15(19-12-20-16)18-9-10-22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyRTKFBDJNLNOBBN-UHFFFAOYSA-N
XLogP3.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.40
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-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (CID 112856745) is 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is CCc1cccc(CC)c1Nc1cc(NCCOC)ncn1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is RTKFBDJNLNOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-13-7-6-8-14(5-2)17(13)21-16-11-15(19-12-20-16)18-9-10-22-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).