5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine

C10H14IN3O — CID 66301879

IUPAC5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCOCC2)ncc1I
InChIInChI=1S/C10H14IN3O/c1-12-10-8(11)6-13-9(14-10)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyXSEOXUDAKDXSLX-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.02
Rot. Bonds2

About 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine

5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 66301879) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID66301879
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCOCC2)ncc1I
InChIInChI=1S/C10H14IN3O/c1-12-10-8(11)6-13-9(14-10)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyXSEOXUDAKDXSLX-UHFFFAOYSA-N
XLogP2.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.02
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-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
2-(4-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302905
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66304538
5-bromo-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66302859
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301720
N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66303935
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79088263
5-bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
N-methyl-2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 65334670
5-iodo-N-methyl-2-(4-phenyloxan-4-yl)pyrimidin-4-amine
CID 66304537

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine (CID 66301879) is 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine is CNc1nc(C2CCOCC2)ncc1I.
What is the InChIKey of 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is XSEOXUDAKDXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-12-10-8(11)6-13-9(14-10)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 319.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66301879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).