(6-chloro-2-ethylpyrimidin-4-yl)hydrazine

C6H9ClN4 — CID 13393613

IUPAC(6-chloro-2-ethylpyrimidin-4-yl)hydrazine
SMILESCCc1nc(Cl)cc(NN)n1
InChIInChI=1S/C6H9ClN4/c1-2-5-9-4(7)3-6(10-5)11-8/h3H,2,8H2,1H3,(H,9,10,11)
InChIKeyLTKXMNPKFGLLPZ-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.98
Rot. Bonds2

About (6-chloro-2-ethylpyrimidin-4-yl)hydrazine

(6-chloro-2-ethylpyrimidin-4-yl)hydrazine (PubChem CID 13393613) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is (6-chloro-2-ethylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-2-ethylpyrimidin-4-yl)hydrazine
PubChem CID13393613
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name(6-chloro-2-ethylpyrimidin-4-yl)hydrazine
SMILESCCc1nc(Cl)cc(NN)n1
InChIInChI=1S/C6H9ClN4/c1-2-5-9-4(7)3-6(10-5)11-8/h3H,2,8H2,1H3,(H,9,10,11)
InChIKeyLTKXMNPKFGLLPZ-UHFFFAOYSA-N
XLogP0.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diamino-6-chloropyrimidine
CID 67432
6-Chloro-2-methylpyrimidin-4-amine
CID 286754
4-Chloro-6-hydrazinylpyrimidine
CID 247222
6-Chloro-N2,N2-dimethylpyrimidine-2,4-diamine
CID 13413764
2,4-Pyrimidinediamine, 6-chloro-, monohydrochloride
CID 3054499
6-Chloro-2-Ethylpyrimidin-4-Amine
CID 45789645
6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine
CID 251735
4-Chloro-6-hydrazinyl-2-methylpyrimidine
CID 13590470
6-chloro-N,2-dimethylpyrimidin-4-amine
CID 19789518
6-Chloro-2-isopropylpyrimidin-4-amine
CID 75132211
2-Tert-butyl-6-chloropyrimidin-4-amine
CID 80953209
4-Amino-6-chloropyrimidine-2-carbonitrile
CID 131415757

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-ethylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-chloro-2-ethylpyrimidin-4-yl)hydrazine (CID 13393613) is (6-chloro-2-ethylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-chloro-2-ethylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-chloro-2-ethylpyrimidin-4-yl)hydrazine is CCc1nc(Cl)cc(NN)n1.
What is the InChIKey of (6-chloro-2-ethylpyrimidin-4-yl)hydrazine?
The InChIKey is LTKXMNPKFGLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-2-5-9-4(7)3-6(10-5)11-8/h3H,2,8H2,1H3,(H,9,10,11).
What are the key properties of (6-chloro-2-ethylpyrimidin-4-yl)hydrazine?
(6-chloro-2-ethylpyrimidin-4-yl)hydrazine has a molecular weight of 172.62 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-ethylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 13393613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).