2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide

C16H18N4O2 — CID 54852281

IUPAC2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
SMILESC=CCOc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-4-9-22-12-7-5-11(6-8-12)13-10-14(15(21)20(2)3)19-16(17)18-13/h4-8,10H,1,9H2,2-3H3,(H2,17,18,19)
InChIKeyWIMYNYLYKNJCNU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide

2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 54852281) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
PubChem CID54852281
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
SMILESC=CCOc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-4-9-22-12-7-5-11(6-8-12)13-10-14(15(21)20(2)3)19-16(17)18-13/h4-8,10H,1,9H2,2-3H3,(H2,17,18,19)
InChIKeyWIMYNYLYKNJCNU-UHFFFAOYSA-N
XLogP1.99
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
CID 54852320
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
N,N,2-trimethyl-6-phenylpyrimidine-4-carboxamide
CID 12562155
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82300036
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide (CID 54852281) is 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide is C=CCOc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1.
What is the InChIKey of 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is WIMYNYLYKNJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-9-22-12-7-5-11(6-8-12)13-10-14(15(21)20(2)3)19-16(17)18-13/h4-8,10H,1,9H2,2-3H3,(H2,17,18,19).
What are the key properties of 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54852281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).