4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C16H20N4O2 — CID 112908017

IUPAC4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C16H20N4O2/c1-5-8-17-16-18-11(2)9-15(20-16)19-13-7-6-12(21-3)10-14(13)22-4/h5-7,9-10H,1,8H2,2-4H3,(H2,17,18,19,20)
InChIKeyPBXYQBQQZYBHDQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.14
Rot. Bonds7

About 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112908017) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112908017
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C16H20N4O2/c1-5-8-17-16-18-11(2)9-15(20-16)19-13-7-6-12(21-3)10-14(13)22-4/h5-7,9-10H,1,8H2,2-4H3,(H2,17,18,19,20)
InChIKeyPBXYQBQQZYBHDQ-UHFFFAOYSA-N
XLogP3.14
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821
4-N-(2,4-dimethoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879673
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
4-N-(2,5-dimethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908787
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112908017) is 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(C)cc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is PBXYQBQQZYBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-5-8-17-16-18-11(2)9-15(20-16)19-13-7-6-12(21-3)10-14(13)22-4/h5-7,9-10H,1,8H2,2-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 300.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).