5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

C15H16IN3 — CID 66307689

IUPAC5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCc1nc(C2CCc3ccccc3C2)nc(N)c1I
InChIInChI=1S/C15H16IN3/c1-9-13(16)14(17)19-15(18-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3,(H2,17,18,19)
InChIKeyACBZSWXHOFUGIP-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.24
Rot. Bonds1

About 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (PubChem CID 66307689) has the molecular formula C15H16IN3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
PubChem CID66307689
Molecular FormulaC15H16IN3
Molecular Weight365.22 g/mol
Exact Mass365.04
IUPAC Name5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCc1nc(C2CCc3ccccc3C2)nc(N)c1I
InChIInChI=1S/C15H16IN3/c1-9-13(16)14(17)19-15(18-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3,(H2,17,18,19)
InChIKeyACBZSWXHOFUGIP-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (CID 66307689) is 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is Cc1nc(C2CCc3ccccc3C2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The InChIKey is ACBZSWXHOFUGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3/c1-9-13(16)14(17)19-15(18-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine has a molecular weight of 365.22 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66307689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).