N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine

C12H18IN3O — CID 66305719

IUPACN-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCOC2)nc(C)c1I
InChIInChI=1S/C12H18IN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-5-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUENDSUJVDROGSQ-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.72
Rot. Bonds3

About N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine

N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine (PubChem CID 66305719) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
PubChem CID66305719
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC NameN-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCOC2)nc(C)c1I
InChIInChI=1S/C12H18IN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-5-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUENDSUJVDROGSQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.72
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-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
CID 66302625
N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66305718
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
6-tert-butyl-5-iodo-2-(oxan-3-yl)pyrimidin-4-amine
CID 66306241
N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine (CID 66305719) is N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine is CCNc1nc(C2CCCOC2)nc(C)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine?
The InChIKey is UENDSUJVDROGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-5-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66305719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).