3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine

C11H19FN4 — CID 106287311

IUPAC3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-3-8(4-2)10(13)7-16-11-14-5-9(12)6-15-11/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyKGNNUKDKDSVFBM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.79
Rot. Bonds6

About 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine

3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine (PubChem CID 106287311) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
PubChem CID106287311
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-3-8(4-2)10(13)7-16-11-14-5-9(12)6-15-11/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyKGNNUKDKDSVFBM-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine (CID 106287311) is 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine is CCC(CC)C(N)CNc1ncc(F)cn1.
What is the InChIKey of 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine?
The InChIKey is KGNNUKDKDSVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-3-8(4-2)10(13)7-16-11-14-5-9(12)6-15-11/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine?
3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106287311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).