2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine

C14H14IN3 — CID 66304538

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2Cc3ccccc3C2)ncc1I
InChIInChI=1S/C14H14IN3/c1-16-14-12(15)8-17-13(18-14)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18)
InChIKeyPBSCAOOZGZLTOI-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.01
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine

2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66304538) has the molecular formula C14H14IN3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66304538
Molecular FormulaC14H14IN3
Molecular Weight351.19 g/mol
Exact Mass351.02
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2Cc3ccccc3C2)ncc1I
InChIInChI=1S/C14H14IN3/c1-16-14-12(15)8-17-13(18-14)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18)
InChIKeyPBSCAOOZGZLTOI-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine
CID 66292663
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301879
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
2-benzyl-5-iodo-N-methylpyrimidin-4-amine
CID 66304334
2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66301471
[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
CID 65404660
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine
CID 115531721
5-iodo-N-methyl-2-(4-phenyloxan-4-yl)pyrimidin-4-amine
CID 66304537

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine (CID 66304538) is 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(C2Cc3ccccc3C2)ncc1I.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is PBSCAOOZGZLTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3/c1-16-14-12(15)8-17-13(18-14)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 351.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).