N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine

C11H12IN3O — CID 104840074

IUPACN-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
SMILESCC(Cc1ccco1)Nc1ncc(I)cn1
InChIInChI=1S/C11H12IN3O/c1-8(5-10-3-2-4-16-10)15-11-13-6-9(12)7-14-11/h2-4,6-8H,5H2,1H3,(H,13,14,15)
InChIKeyDWNQFDMWYCIQRN-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine

N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine (PubChem CID 104840074) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
PubChem CID104840074
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
SMILESCC(Cc1ccco1)Nc1ncc(I)cn1
InChIInChI=1S/C11H12IN3O/c1-8(5-10-3-2-4-16-10)15-11-13-6-9(12)7-14-11/h2-4,6-8H,5H2,1H3,(H,13,14,15)
InChIKeyDWNQFDMWYCIQRN-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107543934
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine (CID 104840074) is N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine is CC(Cc1ccco1)Nc1ncc(I)cn1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine?
The InChIKey is DWNQFDMWYCIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-8(5-10-3-2-4-16-10)15-11-13-6-9(12)7-14-11/h2-4,6-8H,5H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine?
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine has a molecular weight of 329.14 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104840074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).