5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine

C15H20IN3O — CID 104806784

IUPAC5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2occc2C)nc(CCC)c1I
InChIInChI=1S/C15H20IN3O/c1-4-6-11-12(16)14(17-8-5-2)19-15(18-11)13-10(3)7-9-20-13/h7,9H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyDXJXDEQCJMOSBL-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.42
Rot. Bonds6

About 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine

5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 104806784) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID104806784
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2occc2C)nc(CCC)c1I
InChIInChI=1S/C15H20IN3O/c1-4-6-11-12(16)14(17-8-5-2)19-15(18-11)13-10(3)7-9-20-13/h7,9H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyDXJXDEQCJMOSBL-UHFFFAOYSA-N
XLogP4.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-5-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806725
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806638
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799
5-iodo-2-(3-methylfuran-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136741726
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine (CID 104806784) is 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2occc2C)nc(CCC)c1I.
What is the InChIKey of 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is DXJXDEQCJMOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O/c1-4-6-11-12(16)14(17-8-5-2)19-15(18-11)13-10(3)7-9-20-13/h7,9H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine?
5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 385.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 104806784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).