2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

C12H14IN3O — CID 66305936

IUPAC2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C)c1I
InChIInChI=1S/C12H14IN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyKWURQDXIIUVASY-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.47
Rot. Bonds4

About 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66305936) has the molecular formula C12H14IN3O and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66305936
Molecular FormulaC12H14IN3O
Molecular Weight343.17 g/mol
Exact Mass343.02
IUPAC Name2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C)c1I
InChIInChI=1S/C12H14IN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyKWURQDXIIUVASY-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.47
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

2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66306676
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (CID 66305936) is 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccoc2)nc(C)c1I.
What is the InChIKey of 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is KWURQDXIIUVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 343.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).