5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine

C10H14IN3O — CID 104844272

IUPAC5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(I)cn2)CCO1
InChIInChI=1S/C10H14IN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14)
InChIKeyRQNJLZDODUUMII-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.06
Rot. Bonds2

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

5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine (PubChem CID 104844272) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
PubChem CID104844272
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(I)cn2)CCO1
InChIInChI=1S/C10H14IN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14)
InChIKeyRQNJLZDODUUMII-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 103889202
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
CID 116648422
3,6-dimethyl-N-(2-methyloxan-4-yl)pyrazin-2-amine
CID 104695678
6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
CID 103946830
5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine
CID 103932319
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 114108395
2-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889221
3-fluoro-N-[(2S,4S)-2-methyloxan-4-yl]pyridin-2-amine
CID 129411560
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
4-methyl-N-(2-methyloxan-4-yl)-1,3-oxazol-2-amine
CID 130626791
8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155183055
2,6-dimethyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889229

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine (CID 104844272) is 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine is CC1CC(Nc2ncc(I)cn2)CCO1.
What is the InChIKey of 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is RQNJLZDODUUMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 319.15 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 104844272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).