2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

C15H12ClN5O2 — CID 150535612

IUPAC2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(CCNc2nc(Cl)nc3ncccc23)cc1
InChIInChI=1S/C15H12ClN5O2/c16-15-19-13-12(2-1-8-17-13)14(20-15)18-9-7-10-3-5-11(6-4-10)21(22)23/h1-6,8H,7,9H2,(H,17,18,19,20)
InChIKeyIETVLKGZKKZPJO-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 150535612) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID150535612
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(CCNc2nc(Cl)nc3ncccc23)cc1
InChIInChI=1S/C15H12ClN5O2/c16-15-19-13-12(2-1-8-17-13)14(20-15)18-9-7-10-3-5-11(6-4-10)21(22)23/h1-6,8H,7,9H2,(H,17,18,19,20)
InChIKeyIETVLKGZKKZPJO-UHFFFAOYSA-N
XLogP3.24
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.24
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'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
CID 61218906
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
5-bromo-6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 106194224
6-chloro-5-methoxy-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 106194240
3-methyl-N-[2-(4-nitrophenyl)ethyl]isoquinolin-4-amine
CID 153370231
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 62958039
2,6-dichloro-N-[2-(4-nitrophenyl)ethyl]quinolin-4-amine
CID 150191155
5-iodo-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 66340336
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 150535612) is 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is O=[N+]([O-])c1ccc(CCNc2nc(Cl)nc3ncccc23)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is IETVLKGZKKZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-15-19-13-12(2-1-8-17-13)14(20-15)18-9-7-10-3-5-11(6-4-10)21(22)23/h1-6,8H,7,9H2,(H,17,18,19,20).
What are the key properties of 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 329.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 150535612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).