5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine

C7H11ClFN5 — CID 130505153

IUPAC5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCCCF)n1
InChIInChI=1S/C7H11ClFN5/c8-5-4-12-7(14-10)13-6(5)11-3-1-2-9/h4H,1-3,10H2,(H2,11,12,13,14)
InChIKeyDGEIPMYHYMKUTM-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.19
Rot. Bonds5

About 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 130505153) has the molecular formula C7H11ClFN5 and a molecular weight of 219.65 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID130505153
Molecular FormulaC7H11ClFN5
Molecular Weight219.65 g/mol
Exact Mass219.07
IUPAC Name5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(NCCCF)n1
InChIInChI=1S/C7H11ClFN5/c8-5-4-12-7(14-10)13-6(5)11-3-1-2-9/h4H,1-3,10H2,(H2,11,12,13,14)
InChIKeyDGEIPMYHYMKUTM-UHFFFAOYSA-N
XLogP1.19
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
4-N-(3-aminopropyl)-2-N-(4-bromophenyl)-5-chloropyrimidine-2,4-diamine
CID 134511930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine (CID 130505153) is 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Cl)c(NCCCF)n1.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is DGEIPMYHYMKUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFN5/c8-5-4-12-7(14-10)13-6(5)11-3-1-2-9/h4H,1-3,10H2,(H2,11,12,13,14).
What are the key properties of 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 219.65 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 130505153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).