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

C16H19N5O3 — CID 6367976

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N5O3/c1-3-21(4-2)12-7-5-11(6-8-12)10-17-20-15(23)13-9-14(22)19-16(24)18-13/h5-10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,22,24)/b17-10-
InChIKeyMMQXZYMETXBHAW-YVLHZVERSA-N
MW329.36 g/mol
LogP0.67
Rot. Bonds6

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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 6367976) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID6367976
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N5O3/c1-3-21(4-2)12-7-5-11(6-8-12)10-17-20-15(23)13-9-14(22)19-16(24)18-13/h5-10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,22,24)/b17-10-
InChIKeyMMQXZYMETXBHAW-YVLHZVERSA-N
XLogP0.67
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 6367976) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is MMQXZYMETXBHAW-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-21(4-2)12-7-5-11(6-8-12)10-17-20-15(23)13-9-14(22)19-16(24)18-13/h5-10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,22,24)/b17-10-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 6367976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).