N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine

C6H8ClFN4 — CID 19983568

IUPACN'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc(F)c1Cl
InChIInChI=1S/C6H8ClFN4/c7-4-5(8)11-3-12-6(4)10-2-1-9/h3H,1-2,9H2,(H,10,11,12)
InChIKeyRMMXJXJUXBRVBA-UHFFFAOYSA-N
MW190.61 g/mol
LogP0.64
Rot. Bonds3

About N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine

N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 19983568) has the molecular formula C6H8ClFN4 and a molecular weight of 190.61 g/mol. Its IUPAC name is N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine
PubChem CID19983568
Molecular FormulaC6H8ClFN4
Molecular Weight190.61 g/mol
Exact Mass190.04
IUPAC NameN'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1ncnc(F)c1Cl
InChIInChI=1S/C6H8ClFN4/c7-4-5(8)11-3-12-6(4)10-2-1-9/h3H,1-2,9H2,(H,10,11,12)
InChIKeyRMMXJXJUXBRVBA-UHFFFAOYSA-N
XLogP0.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine (CID 19983568) is N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine is NCCNc1ncnc(F)c1Cl.
What is the InChIKey of N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is RMMXJXJUXBRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4/c7-4-5(8)11-3-12-6(4)10-2-1-9/h3H,1-2,9H2,(H,10,11,12).
What are the key properties of N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine?
N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 190.61 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 19983568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).