N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine

C6H9FN4 — CID 112703775

IUPACN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ncc(F)cn1
InChIInChI=1S/C6H9FN4/c7-5-3-10-6(11-4-5)9-2-1-8/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyYHZHOCBFNHZPNF-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.01
Rot. Bonds3

About N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine

N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112703775) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112703775
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC NameN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ncc(F)cn1
InChIInChI=1S/C6H9FN4/c7-5-3-10-6(11-4-5)9-2-1-8/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyYHZHOCBFNHZPNF-UHFFFAOYSA-N
XLogP-0.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224521
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142510
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974150
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
CID 106287311
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
CID 126990894
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine (CID 112703775) is N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine is NCCNc1ncc(F)cn1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is YHZHOCBFNHZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c7-5-3-10-6(11-4-5)9-2-1-8/h3-4H,1-2,8H2,(H,9,10,11).
What are the key properties of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 156.16 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112703775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).