2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

C15H16IN3O — CID 66301791

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2Cc3ccccc3C2)nc(N)c1I
InChIInChI=1S/C15H16IN3O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-8H2,1H3,(H2,17,18,19)
InChIKeyBOZOKXZXCQGBKM-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.69
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66301791) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66301791
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2Cc3ccccc3C2)nc(N)c1I
InChIInChI=1S/C15H16IN3O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-8H2,1H3,(H2,17,18,19)
InChIKeyBOZOKXZXCQGBKM-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.69
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

2-(2,3-dihydro-1H-inden-1-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303839
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
5-iodo-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66304447
5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66302403
5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
CID 66299040
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 113289859
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
CID 82839731
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302835
2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 79669669
5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 66303147

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (CID 66301791) is 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is COCc1nc(C2Cc3ccccc3C2)nc(N)c1I.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is BOZOKXZXCQGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-20-8-12-13(16)14(17)19-15(18-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-8H2,1H3,(H2,17,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 381.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).