2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide

C14H14N4O3 — CID 175227622

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCOc3ccccc32)nc1
InChIInChI=1S/C14H14N4O3/c19-13(18-20)9-7-15-14(16-8-9)17-11-5-6-21-12-4-2-1-3-10(11)12/h1-4,7-8,11,20H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeySTZVJXNSNMYWOE-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.53
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide (PubChem CID 175227622) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
PubChem CID175227622
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCOc3ccccc32)nc1
InChIInChI=1S/C14H14N4O3/c19-13(18-20)9-7-15-14(16-8-9)17-11-5-6-21-12-4-2-1-3-10(11)12/h1-4,7-8,11,20H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeySTZVJXNSNMYWOE-UHFFFAOYSA-N
XLogP1.53
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554
5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
CID 62366449
2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
CID 60716381
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
CID 115577788
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86924670
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide (CID 175227622) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2CCOc3ccccc32)nc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is STZVJXNSNMYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(18-20)9-7-15-14(16-8-9)17-11-5-6-21-12-4-2-1-3-10(11)12/h1-4,7-8,11,20H,5-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 175227622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).