N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine

C11H19FN4 — CID 106116387

IUPACN-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-2-3-9(4-5-13)6-14-11-15-7-10(12)8-16-11/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyJGSXFWFOCAFQJI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.79
Rot. Bonds7

About N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine

N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine (PubChem CID 106116387) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
PubChem CID106116387
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC NameN-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-2-3-9(4-5-13)6-14-11-15-7-10(12)8-16-11/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyJGSXFWFOCAFQJI-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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 N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine (CID 106116387) is N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNc1ncc(F)cn1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine?
The InChIKey is JGSXFWFOCAFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-3-9(4-5-13)6-14-11-15-7-10(12)8-16-11/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine?
N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.79, 7 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)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).