N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine

C15H16ClN5O2 — CID 133431823

IUPACN'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C15H16ClN5O2/c16-13-9-14(20-15(19-13)10-1-2-10)18-8-7-17-11-3-5-12(6-4-11)21(22)23/h3-6,9-10,17H,1-2,7-8H2,(H,18,19,20)
InChIKeyONUISYMWBOIIRS-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.44
Rot. Bonds7

About N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine

N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine (PubChem CID 133431823) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine
PubChem CID133431823
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC NameN'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C15H16ClN5O2/c16-13-9-14(20-15(19-13)10-1-2-10)18-8-7-17-11-3-5-12(6-4-11)21(22)23/h3-6,9-10,17H,1-2,7-8H2,(H,18,19,20)
InChIKeyONUISYMWBOIIRS-UHFFFAOYSA-N
XLogP3.44
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine 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

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-(4-nitrophenyl)propane-1,3-diol
CID 133434233
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 86814390
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
6-chloro-2-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]pyrimidin-4-amine
CID 133418717
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
4-chloro-2-cyclopropyl-6-(2-iodo-5-nitrophenoxy)pyrimidine
CID 133498824
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
N-(4-nitrophenyl)-N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 133370714
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine (CID 133431823) is N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine is O=[N+]([O-])c1ccc(NCCNc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is ONUISYMWBOIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-13-9-14(20-15(19-13)10-1-2-10)18-8-7-17-11-3-5-12(6-4-11)21(22)23/h3-6,9-10,17H,1-2,7-8H2,(H,18,19,20).
What are the key properties of N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine?
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 333.78 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 133431823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).