N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C17H20N4O — CID 109339717

IUPACN-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2c(C)cc(C)cc2C)ncn1
InChIInChI=1S/C17H20N4O/c1-5-6-18-17(22)14-9-15(20-10-19-14)21-16-12(3)7-11(2)8-13(16)4/h5,7-10H,1,6H2,2-4H3,(H,18,22)(H,19,20,21)
InChIKeyYPOHPTYNWFKQJT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds5

About N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109339717) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109339717
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2c(C)cc(C)cc2C)ncn1
InChIInChI=1S/C17H20N4O/c1-5-6-18-17(22)14-9-15(20-10-19-14)21-16-12(3)7-11(2)8-13(16)4/h5,7-10H,1,6H2,2-4H3,(H,18,22)(H,19,20,21)
InChIKeyYPOHPTYNWFKQJT-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109357704
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109339717) is N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2c(C)cc(C)cc2C)ncn1.
What is the InChIKey of N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is YPOHPTYNWFKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-5-6-18-17(22)14-9-15(20-10-19-14)21-16-12(3)7-11(2)8-13(16)4/h5,7-10H,1,6H2,2-4H3,(H,18,22)(H,19,20,21).
What are the key properties of N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).