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

C10H17FN4 — CID 104606344

IUPAC2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncc(F)cn1
InChIInChI=1S/C10H17FN4/c1-7(2)3-9(4-12)15-10-13-5-8(11)6-14-10/h5-7,9H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyGZAQLAGAGNQWEL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.40
Rot. Bonds5

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

2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 104606344) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
PubChem CID104606344
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncc(F)cn1
InChIInChI=1S/C10H17FN4/c1-7(2)3-9(4-12)15-10-13-5-8(11)6-14-10/h5-7,9H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyGZAQLAGAGNQWEL-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine (CID 104606344) is 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine is CC(C)CC(CN)Nc1ncc(F)cn1.
What is the InChIKey of 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is GZAQLAGAGNQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-7(2)3-9(4-12)15-10-13-5-8(11)6-14-10/h5-7,9H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine?
2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 104606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).