2-chloro-6-ethyl-5-nitropyrimidin-4-amine

C6H7ClN4O2 — CID 131272646

IUPAC2-chloro-6-ethyl-5-nitropyrimidin-4-amine
SMILESCCc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H7ClN4O2/c1-2-3-4(11(12)13)5(8)10-6(7)9-3/h2H2,1H3,(H2,8,9,10)
InChIKeyXCESPSVRFIBJHQ-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.18
Rot. Bonds2

About 2-chloro-6-ethyl-5-nitropyrimidin-4-amine

2-chloro-6-ethyl-5-nitropyrimidin-4-amine (PubChem CID 131272646) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-chloro-6-ethyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-5-nitropyrimidin-4-amine
PubChem CID131272646
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Name2-chloro-6-ethyl-5-nitropyrimidin-4-amine
SMILESCCc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H7ClN4O2/c1-2-3-4(11(12)13)5(8)10-6(7)9-3/h2H2,1H3,(H2,8,9,10)
InChIKeyXCESPSVRFIBJHQ-UHFFFAOYSA-N
XLogP1.18
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 68895396
6-ethyl-2-N-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 68895391
2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 4033138
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
2-butoxy-6-chloro-5-nitropyrimidin-4-amine
CID 118939933
2-chloro-5-nitro-6-[3-(trifluoromethyl)-1-bicyclo[1.1.0]butanyl]pyrimidin-4-amine
CID 177137152
4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
CID 58278133
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
2-chloro-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 4272021
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-5-nitropyrimidin-4-amine (CID 131272646) is 2-chloro-6-ethyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-5-nitropyrimidin-4-amine is CCc1nc(Cl)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-ethyl-5-nitropyrimidin-4-amine?
The InChIKey is XCESPSVRFIBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c1-2-3-4(11(12)13)5(8)10-6(7)9-3/h2H2,1H3,(H2,8,9,10).
What are the key properties of 2-chloro-6-ethyl-5-nitropyrimidin-4-amine?
2-chloro-6-ethyl-5-nitropyrimidin-4-amine has a molecular weight of 202.60 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 131272646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).