5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

C12H18IN3O — CID 80681024

IUPAC5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc(C)c1I
InChIInChI=1S/C12H18IN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeySCOPILLJZMXXHD-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.85
Rot. Bonds2

About 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (PubChem CID 80681024) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
PubChem CID80681024
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc(C)c1I
InChIInChI=1S/C12H18IN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeySCOPILLJZMXXHD-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (CID 80681024) is 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is CNc1nc(C2(C)CCCCO2)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The InChIKey is SCOPILLJZMXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80681024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).