4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C17H22N4O2 — CID 112907953

IUPAC4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-4-9-19-17-20-13(2)12-16(21-17)18-10-11-23-15-7-5-14(22-3)6-8-15/h4-8,12H,1,9-11H2,2-3H3,(H2,18,19,20,21)
InChIKeyMYVYEDFGUMBRPX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.88
Rot. Bonds9

About 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112907953) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112907953
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-4-9-19-17-20-13(2)12-16(21-17)18-10-11-23-15-7-5-14(22-3)6-8-15/h4-8,12H,1,9-11H2,2-3H3,(H2,18,19,20,21)
InChIKeyMYVYEDFGUMBRPX-UHFFFAOYSA-N
XLogP2.88
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879637
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908017
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
2-N-[4-(dimethylamino)phenyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924521
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112907953) is 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is MYVYEDFGUMBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-9-19-17-20-13(2)12-16(21-17)18-10-11-23-15-7-5-14(22-3)6-8-15/h4-8,12H,1,9-11H2,2-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).