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

C9H9IN4O — CID 104841408

IUPAC5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(CNc2ncc(I)cn2)no1
InChIInChI=1S/C9H9IN4O/c1-6-2-8(14-15-6)5-13-9-11-3-7(10)4-12-9/h2-4H,5H2,1H3,(H,11,12,13)
InChIKeyQRDRTMKKFDVPNT-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.99
Rot. Bonds3

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

5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 104841408) has the molecular formula C9H9IN4O and a molecular weight of 316.10 g/mol. Its IUPAC name is 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID104841408
Molecular FormulaC9H9IN4O
Molecular Weight316.10 g/mol
Exact Mass315.98
IUPAC Name5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(CNc2ncc(I)cn2)no1
InChIInChI=1S/C9H9IN4O/c1-6-2-8(14-15-6)5-13-9-11-3-7(10)4-12-9/h2-4H,5H2,1H3,(H,11,12,13)
InChIKeyQRDRTMKKFDVPNT-UHFFFAOYSA-N
XLogP1.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.99
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-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813779
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
3,5-difluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 112675783
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-amine
CID 62133823
3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 79728759
5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 104844042
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine (CID 104841408) is 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine is Cc1cc(CNc2ncc(I)cn2)no1.
What is the InChIKey of 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is QRDRTMKKFDVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O/c1-6-2-8(14-15-6)5-13-9-11-3-7(10)4-12-9/h2-4H,5H2,1H3,(H,11,12,13).
What are the key properties of 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine?
5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 316.10 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 104841408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).