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

C14H18IN3O — CID 66300943

IUPAC2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C(C)C)c1I
InChIInChI=1S/C14H18IN3O/c1-4-6-16-14-11(15)12(9(2)3)17-13(18-14)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeySAHWNKUHCOFOPW-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.29
Rot. Bonds5

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

2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66300943) has the molecular formula C14H18IN3O and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66300943
Molecular FormulaC14H18IN3O
Molecular Weight371.22 g/mol
Exact Mass371.05
IUPAC Name2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C(C)C)c1I
InChIInChI=1S/C14H18IN3O/c1-4-6-16-14-11(15)12(9(2)3)17-13(18-14)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeySAHWNKUHCOFOPW-UHFFFAOYSA-N
XLogP4.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.29
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-methyl-N-propylpyrimidin-4-amine
CID 66305936
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360
N-ethyl-5-iodo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297954
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66300343
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66300943) is 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccoc2)nc(C(C)C)c1I.
What is the InChIKey of 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SAHWNKUHCOFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O/c1-4-6-16-14-11(15)12(9(2)3)17-13(18-14)10-5-7-19-8-10/h5,7-9H,4,6H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 371.22 g/mol, XLogP of 4.29, 5 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-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66300943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).