(4-nitrophenyl) N-pyrimidin-5-ylcarbamate

C11H8N4O4 — CID 59536323

IUPAC(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
SMILESO=C(Nc1cncnc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N4O4/c16-11(14-8-5-12-7-13-6-8)19-10-3-1-9(2-4-10)15(17)18/h1-7H,(H,14,16)
InChIKeySRKNOJREPRQZJK-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.00
Rot. Bonds3

About (4-nitrophenyl) N-pyrimidin-5-ylcarbamate

(4-nitrophenyl) N-pyrimidin-5-ylcarbamate (PubChem CID 59536323) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is (4-nitrophenyl) N-pyrimidin-5-ylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
PubChem CID59536323
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
SMILESO=C(Nc1cncnc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N4O4/c16-11(14-8-5-12-7-13-6-8)19-10-3-1-9(2-4-10)15(17)18/h1-7H,(H,14,16)
InChIKeySRKNOJREPRQZJK-UHFFFAOYSA-N
XLogP2.00
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-nitrophenyl) N-pyrimidin-5-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
[4-[(4-nitrophenoxy)carbonylamino]phenyl]methylcarbamic acid
CID 174223547
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611
methyl 3-[(4-nitrophenoxy)carbonylamino]benzoate
CID 19081261
(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
CID 57343439
(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 57265169
(4-nitrophenyl) N-[3-amino-4-(trifluoromethyl)phenyl]carbamate
CID 121257466
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
(4-nitrophenyl) N-[3-(4-formylphenyl)phenyl]carbamate
CID 142150976

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-pyrimidin-5-ylcarbamate?
The IUPAC name of (4-nitrophenyl) N-pyrimidin-5-ylcarbamate (CID 59536323) is (4-nitrophenyl) N-pyrimidin-5-ylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-pyrimidin-5-ylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-pyrimidin-5-ylcarbamate is O=C(Nc1cncnc1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-pyrimidin-5-ylcarbamate?
The InChIKey is SRKNOJREPRQZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-11(14-8-5-12-7-13-6-8)19-10-3-1-9(2-4-10)15(17)18/h1-7H,(H,14,16).
What are the key properties of (4-nitrophenyl) N-pyrimidin-5-ylcarbamate?
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate has a molecular weight of 260.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-pyrimidin-5-ylcarbamate is sourced from PubChem (CID 59536323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).