6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide

C19H25N5O — CID 109339796

IUPAC6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(N(CC)CC)cc2C)ncn1
InChIInChI=1S/C19H25N5O/c1-5-10-20-19(25)17-12-18(22-13-21-17)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,25)(H,21,22,23)
InChIKeyKMJGWCQUUNDZKS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds8

About 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide

6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339796) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339796
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(N(CC)CC)cc2C)ncn1
InChIInChI=1S/C19H25N5O/c1-5-10-20-19(25)17-12-18(22-13-21-17)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,25)(H,21,22,23)
InChIKeyKMJGWCQUUNDZKS-UHFFFAOYSA-N
XLogP3.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339796) is 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(N(CC)CC)cc2C)ncn1.
What is the InChIKey of 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is KMJGWCQUUNDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-10-20-19(25)17-12-18(22-13-21-17)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H,20,25)(H,21,22,23).
What are the key properties of 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide?
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).