4-chloro-6-hydrazinylpyrimidine-2,5-diamine

C4H7ClN6 — CID 15557852

IUPAC4-chloro-6-hydrazinylpyrimidine-2,5-diamine
SMILESNNc1nc(N)nc(Cl)c1N
InChIInChI=1S/C4H7ClN6/c5-2-1(6)3(11-8)10-4(7)9-2/h6,8H2,(H3,7,9,10,11)
InChIKeyBKUULUGIDOYPNO-UHFFFAOYSA-N
MW174.60 g/mol
LogP-0.42
Rot. Bonds1

About 4-chloro-6-hydrazinylpyrimidine-2,5-diamine

4-chloro-6-hydrazinylpyrimidine-2,5-diamine (PubChem CID 15557852) has the molecular formula C4H7ClN6 and a molecular weight of 174.60 g/mol. Its IUPAC name is 4-chloro-6-hydrazinylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-6-hydrazinylpyrimidine-2,5-diamine
PubChem CID15557852
Molecular FormulaC4H7ClN6
Molecular Weight174.60 g/mol
Exact Mass174.04
IUPAC Name4-chloro-6-hydrazinylpyrimidine-2,5-diamine
SMILESNNc1nc(N)nc(Cl)c1N
InChIInChI=1S/C4H7ClN6/c5-2-1(6)3(11-8)10-4(7)9-2/h6,8H2,(H3,7,9,10,11)
InChIKeyBKUULUGIDOYPNO-UHFFFAOYSA-N
XLogP-0.42
TPSA115.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2,5-Diamino-4,6-dichloropyrimidine
CID 301039
6-Chloropyrimidine-2,4,5-triamine
CID 500505
4-Chloro-6-hydrazinylpyrimidin-5-amine
CID 222075
4,5-Diamino-2,6-dichloropyrimidine
CID 240043
2,4-Dichloro-5-fluoro-6-hydrazinopyrimidine
CID 86637037
5-Chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
CID 348229
2-Amino-4,5-dichloro-6-hydrazinopyrimidine
CID 55281624
4-Chloro-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 83814097
2-Fluoro-5-hydrazinylpyrimidine-4,6-diamine
CID 170597269
5-Chloro-3-(chloromethyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine;hydrochloride
CID 24192754
5-chloro-1-methyl-2H-pyrimido[5,4-e][1,2,4]triazine;hydrochloride
CID 24201361
5-Chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
CID 14022336

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydrazinylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-6-hydrazinylpyrimidine-2,5-diamine (CID 15557852) is 4-chloro-6-hydrazinylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-6-hydrazinylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-6-hydrazinylpyrimidine-2,5-diamine is NNc1nc(N)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-hydrazinylpyrimidine-2,5-diamine?
The InChIKey is BKUULUGIDOYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN6/c5-2-1(6)3(11-8)10-4(7)9-2/h6,8H2,(H3,7,9,10,11).
What are the key properties of 4-chloro-6-hydrazinylpyrimidine-2,5-diamine?
4-chloro-6-hydrazinylpyrimidine-2,5-diamine has a molecular weight of 174.60 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydrazinylpyrimidine-2,5-diamine is sourced from PubChem (CID 15557852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).