N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide

C11H14N4O3 — CID 143853445

IUPACN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide
SMILESC=C(/C=C\N(C)C)NC(=O)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O3/c1-7(4-5-15(2)3)12-11(18)10-13-8(16)6-9(17)14-10/h4-6H,1H2,2-3H3,(H,12,18)(H2,13,14,16,17)/b5-4-
InChIKeyDGGSIBSSULLYTB-PLNGDYQASA-N
MW250.26 g/mol
LogP-0.21
Rot. Bonds4

About N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide

N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide (PubChem CID 143853445) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide
PubChem CID143853445
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide
SMILESC=C(/C=C\N(C)C)NC(=O)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O3/c1-7(4-5-15(2)3)12-11(18)10-13-8(16)6-9(17)14-10/h4-6H,1H2,2-3H3,(H,12,18)(H2,13,14,16,17)/b5-4-
InChIKeyDGGSIBSSULLYTB-PLNGDYQASA-N
XLogP-0.21
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide?
The IUPAC name of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide (CID 143853445) is N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide is C=C(/C=C\N(C)C)NC(=O)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide?
The InChIKey is DGGSIBSSULLYTB-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7(4-5-15(2)3)12-11(18)10-13-8(16)6-9(17)14-10/h4-6H,1H2,2-3H3,(H,12,18)(H2,13,14,16,17)/b5-4-.
What are the key properties of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide?
N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-4-hydroxy-6-oxo-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 143853445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).