5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine

C10H11IN4O — CID 104844331

IUPAC5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(I)cn2)o1
InChIInChI=1S/C10H11IN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15)
InChIKeyIKAQYGODFSYHOF-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.55
Rot. Bonds3

About 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine

5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 104844331) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID104844331
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(I)cn2)o1
InChIInChI=1S/C10H11IN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15)
InChIKeyIKAQYGODFSYHOF-UHFFFAOYSA-N
XLogP2.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 106388852
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazin-2-amine
CID 106388768
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390515
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 103946610
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]formamide
CID 106389909
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine (CID 104844331) is 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine is Cc1cnc(C(C)Nc2ncc(I)cn2)o1.
What is the InChIKey of 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is IKAQYGODFSYHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15).
What are the key properties of 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 330.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 104844331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).