2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

C12H12N4O3 — CID 57382070

IUPAC2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccco3)CC2)nc1
InChIInChI=1S/C12H12N4O3/c17-10(16-18)8-6-13-11(14-7-8)15-12(3-4-12)9-2-1-5-19-9/h1-2,5-7,18H,3-4H2,(H,16,17)(H,13,14,15)
InChIKeyXNOWARJDIIEKKS-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.29
Rot. Bonds4

About 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57382070) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57382070
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccco3)CC2)nc1
InChIInChI=1S/C12H12N4O3/c17-10(16-18)8-6-13-11(14-7-8)15-12(3-4-12)9-2-1-5-19-9/h1-2,5-7,18H,3-4H2,(H,16,17)(H,13,14,15)
InChIKeyXNOWARJDIIEKKS-UHFFFAOYSA-N
XLogP1.29
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.29
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

5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166628978
2-((furan-2-ylmethyl)amino)-7,8-dihydroquinazolin-5(6H)-one
CID 664916
2-(ethylamino)-N-[2-furyl(phenyl)methyl]-5-pyrimidinecarboxamide
CID 72924169
2-(ethylamino)-N-(2-furylmethyl)-N-(2-phenylethyl)-5-pyrimidinecarboxamide
CID 72842683
N-isopropyl-5-pyrimidin-5-yl-2-furamide
CID 39796765
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]pyrimidine-5-carboxamide
CID 95219811
5-[2-Amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(fluoromethyl)pyridin-2-one
CID 142697858
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(furan-2-yl)cyclopentyl]pyrimidin-2-amine
CID 153617692
2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
CID 163645154
2-(ethylamino)-N-{[5-(4-fluorophenyl)-2-furyl]methyl}-5-pyrimidinecarboxamide
CID 72927586
2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254879

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 57382070) is 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccco3)CC2)nc1.
What is the InChIKey of 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XNOWARJDIIEKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10(16-18)8-6-13-11(14-7-8)15-12(3-4-12)9-2-1-5-19-9/h1-2,5-7,18H,3-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).