N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C17H21N5O3 — CID 4991880

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cc(=O)n(C)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21N5O3/c1-4-22(5-2)13-8-6-12(7-9-13)11-18-20-16(24)14-10-15(23)21(3)17(25)19-14/h6-11H,4-5H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyJJDCOZYTRHLHGN-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.68
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 4991880) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID4991880
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cc(=O)n(C)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21N5O3/c1-4-22(5-2)13-8-6-12(7-9-13)11-18-20-16(24)14-10-15(23)21(3)17(25)19-14/h6-11H,4-5H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyJJDCOZYTRHLHGN-UHFFFAOYSA-N
XLogP0.68
TPSA99.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 6367976
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 5450584
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
3-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 1184953
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 4991880) is N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCN(CC)c1ccc(C=NNC(=O)c2cc(=O)n(C)c(=O)[nH]2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is JJDCOZYTRHLHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-22(5-2)13-8-6-12(7-9-13)11-18-20-16(24)14-10-15(23)21(3)17(25)19-14/h6-11H,4-5H2,1-3H3,(H,19,25)(H,20,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 4991880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).