4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C16H22N4O — CID 112932787

IUPAC4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOCCNc1cc(-c2ccccc2)nc(NC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)18-16-19-14(13-7-5-4-6-8-13)11-15(20-16)17-9-10-21-3/h4-8,11-12H,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyWWCJSLLFZXWCNF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.02
Rot. Bonds7

About 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932787) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932787
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOCCNc1cc(-c2ccccc2)nc(NC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)18-16-19-14(13-7-5-4-6-8-13)11-15(20-16)17-9-10-21-3/h4-8,11-12H,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyWWCJSLLFZXWCNF-UHFFFAOYSA-N
XLogP3.02
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.02
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-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934961
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932661

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932787) is 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is COCCNc1cc(-c2ccccc2)nc(NC(C)C)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is WWCJSLLFZXWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)18-16-19-14(13-7-5-4-6-8-13)11-15(20-16)17-9-10-21-3/h4-8,11-12H,9-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).