N-(3-fluoropropyl)-5-iodopyrimidin-2-amine

C7H9FIN3 — CID 130504349

IUPACN-(3-fluoropropyl)-5-iodopyrimidin-2-amine
SMILESFCCCNc1ncc(I)cn1
InChIInChI=1S/C7H9FIN3/c8-2-1-3-10-7-11-4-6(9)5-12-7/h4-5H,1-3H2,(H,10,11,12)
InChIKeyKBACDKRYJAEWNX-UHFFFAOYSA-N
MW281.07 g/mol
LogP1.85
Rot. Bonds4

About N-(3-fluoropropyl)-5-iodopyrimidin-2-amine

N-(3-fluoropropyl)-5-iodopyrimidin-2-amine (PubChem CID 130504349) has the molecular formula C7H9FIN3 and a molecular weight of 281.07 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5-iodopyrimidin-2-amine
PubChem CID130504349
Molecular FormulaC7H9FIN3
Molecular Weight281.07 g/mol
Exact Mass280.98
IUPAC NameN-(3-fluoropropyl)-5-iodopyrimidin-2-amine
SMILESFCCCNc1ncc(I)cn1
InChIInChI=1S/C7H9FIN3/c8-2-1-3-10-7-11-4-6(9)5-12-7/h4-5H,1-3H2,(H,10,11,12)
InChIKeyKBACDKRYJAEWNX-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 104844015
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
CID 130653655
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3-fluoropropyl)-5-iodopyrimidin-2-amine (CID 130504349) is N-(3-fluoropropyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-5-iodopyrimidin-2-amine is FCCCNc1ncc(I)cn1.
What is the InChIKey of N-(3-fluoropropyl)-5-iodopyrimidin-2-amine?
The InChIKey is KBACDKRYJAEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FIN3/c8-2-1-3-10-7-11-4-6(9)5-12-7/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of N-(3-fluoropropyl)-5-iodopyrimidin-2-amine?
N-(3-fluoropropyl)-5-iodopyrimidin-2-amine has a molecular weight of 281.07 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 130504349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).