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

C14H15N5O3 — CID 4250673

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O3/c1-19(2)10-5-3-9(4-6-10)8-15-18-13(21)11-7-12(20)17-14(22)16-11/h3-8H,1-2H3,(H,18,21)(H2,16,17,20,22)
InChIKeyCFATZDUJOQJZHY-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.11
Rot. Bonds4

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

N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 4250673) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID4250673
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O3/c1-19(2)10-5-3-9(4-6-10)8-15-18-13(21)11-7-12(20)17-14(22)16-11/h3-8H,1-2H3,(H,18,21)(H2,16,17,20,22)
InChIKeyCFATZDUJOQJZHY-UHFFFAOYSA-N
XLogP-0.11
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.11
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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Related Compounds

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 6367976
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 5356575
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412739
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-diiodobenzamide
CID 13443213
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-di(125I)iodo(125I2)benzamide
CID 13443214
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 4250673) is N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN(C)c1ccc(C=NNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is CFATZDUJOQJZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-19(2)10-5-3-9(4-6-10)8-15-18-13(21)11-7-12(20)17-14(22)16-11/h3-8H,1-2H3,(H,18,21)(H2,16,17,20,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 4250673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).