1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine

C7H11FN4 — CID 104606339

IUPAC1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCOLQLTGJTJPCSN-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.37
Rot. Bonds3

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

1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine (PubChem CID 104606339) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
PubChem CID104606339
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncc(F)cn1
InChIInChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCOLQLTGJTJPCSN-UHFFFAOYSA-N
XLogP0.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
CID 106287311
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
CID 107389783
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974314
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899
N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
CID 106116387
5-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 104606017
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
CID 152579208

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine (CID 104606339) is 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine is CC(N)CNc1ncc(F)cn1.
What is the InChIKey of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is COLQLTGJTJPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-5(9)2-10-7-11-3-6(8)4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine?
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 170.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 104606339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).